Benzoic acid, 2-methoxy-, pentyl ester
- Formula: C13H18O3
- Molecular weight: 222.2802
- IUPAC Standard InChI: InChI=1S/C13H18O3/c1-3-4-7-10-16-13(14)11-8-5-6-9-12(11)15-2/h5-6,8-9H,3-4,7,10H2,1-2H3
- IUPAC Standard InChIKey: TYLMQMJLOUNOGK-UHFFFAOYSA-N
- CAS Registry Number: 22708-14-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: o-Methoxybenzoic acid, pentyl ester; Pentyl 2-methoxybenzoate; pentyl o-anisate
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
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
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Zaikin V.G., TIPS RAS, Moscow, Russia |
| NIST MS number | 292297 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1710. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1700.6 | Zaikin, 2003 | Column length: 30. m; Column diameter: 0.19 mm; Program: 50 C to 120 C at 5 C/min; 120 C to 290 C at 12 C/min |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Zaikin, 2003
Zaikin, V.G.,
Personal Communication: Retention indices measured during the period 2001 to 2003, 2003. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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