1H-Indole-3-acetic acid, methyl ester

• Formula: C₁₁H₁₁NO₂
• Molecular weight: 189.2105
• IUPAC Standard InChI: InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3 Copy

  
• IUPAC Standard InChIKey: KTHADMDGDNYQRX-UHFFFAOYSA-N Copy
• CAS Registry Number: 1912-33-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Indole-3-acetic acid, methyl ester; β-Indolylacetic acid methyl ester; IAA Methyl ester; Methyl β-indoleacetate; Methyl indole-3-acetate; Methyl 3-indolylacetate; Methyl β-indolylacetate; Indole-3-methyl acetate; Methyl ester of 3-indoleacetic acid; Methyl 1H-indole-3-acetate; Methyl indol-3-ylacetate; indole-3-acetic acid, Me; Indoleacetic acid, methyl; (1H-Indol-3-yl)-acetic acid methyl ester
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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Lee's RI, non-polar column, temperature ramp

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Segura and Gelpi, 1975
Segura, J.; Gelpi, E., Application of gas chromatography and mass spectrometry in neurochemical studies: determination on indole amine profiles at the picogram level, Acta vitamin. enzymol., 1975, 29, 1-6, 25-31. [all data]

Pinkston, Spiteller, et al., 1981
Pinkston, D.; Spiteller, G.; von Henning, H.; Matthaei, D., High-resolution gas chromatography-mass spectrometry of the methyl esters of organic acids from uremic hemofiltrates, J. Chromatogr., 1981, 223, 1, 1-19, https://doi.org/10.1016/S0378-4347(00)80063-8 . [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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