Pyrrobutamine M (oxo), acetylated

• Formula: C₂₀H₂₀ClNO
• Molecular weight: 325.832
• IUPAC Standard InChI: InChI=1S/C20H20ClNO/c21-19-10-8-16(9-11-19)15-18(17-5-2-1-3-6-17)12-14-22-13-4-7-20(22)23/h1-3,5-6,8-12H,4,7,13-15H2/b18-12+ Copy

  
• IUPAC Standard InChIKey: ORFURAUSBAEOCC-LDADJPATSA-N Copy
• Chemical structure:
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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

Kovats' 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.

Maurer and Pfleger, 1988
Maurer, H.; Pfleger, K., Identification and Differentiation of Alkylamine Antihistamines and Their Metabolites in Urine by Computerized Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1988, 430, 31-41, https://doi.org/10.1016/S0378-4347(00)83131-X . [all data]

Notes

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