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Phenylbutazone
SpectraBase Compound ID DzMEtp3eahW
InChI InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey VYMDGNCVAMGZFE-UHFFFAOYSA-N
Mol Weight 308.38 g/mol
Molecular Formula C19H20N2O2
Exact Mass 308.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2slPw0QL7ul
Name Phenylbutazone
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C19H20N2O2
InChI InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey VYMDGNCVAMGZFE-UHFFFAOYSA-N
SMILES c1(N2C(C(C(N2c2ccccc2)=O)CCCC)=O)ccccc1
SPLASH splash10-003r-6902000000-62ade378e7f11ab576c8
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences