For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Acenocoumarol breakdown (191)
SpectraBase Compound ID 6iGM3Kwdw7g
InChI InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N
Mol Weight 353.33 g/mol
Molecular Formula C19H15NO6
Exact Mass 353.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5jlqXD165ax
Name Acenocoumarol methyl artifact (367)
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C19H15NO6
InChI InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N
SMILES N(=O)(=O)c1ccc(C(C=2C(Oc3ccccc3C2O)=O)CC(C)=O)cc1
SPLASH splash10-02mi-6539000000-bff4d81b2d9542fc6930
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences