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Carprofen butyl ester
SpectraBase Compound ID C4eZCKAOA9w
InChI InChI=1S/C19H20ClNO2/c1-3-4-9-23-19(22)12(2)13-5-7-15-16-11-14(20)6-8-17(16)21-18(15)10-13/h5-8,10-12,21H,3-4,9H2,1-2H3
InChIKey ATTABGWELPBYHX-UHFFFAOYSA-N
Mol Weight 329.83 g/mol
Molecular Formula C19H20ClNO2
Exact Mass 329.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHPmLyB7szg
Name Carprofen butyl ester
Classification Pharmaceutical drug, analgesic, anti-inflammatory
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 329.118256586 u
Formula C19H20ClNO2
InChI InChI=1S/C19H20ClNO2/c1-3-4-9-23-19(22)12(2)13-5-7-15-16-11-14(20)6-8-17(16)21-18(15)10-13/h5-8,10-12,21H,3-4,9H2,1-2H3
InChIKey ATTABGWELPBYHX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 329.827 g/mol
Nominal Mass 329 u
Quality 873
Retention Index 2521
SMILES C12=C(C=3C(N2)=CC=C(C3)Cl)C=CC(=C1)C(C(OCCCC)=O)C
SPLASH splash10-004i-0492000000-adb1f34d4dee33776568
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms butyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
Technique GC/MS
Wiley ID DD2024_006178