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

*Links on SpectraBase are not permalinks.
Coumatetralyl-permethylated
SpectraBase Compound ID CeIV8tijuek
InChI InChI=1S/C20H18O3/c1-22-19-16-10-4-5-12-17(16)23-20(21)18(19)15-11-6-8-13-7-2-3-9-14(13)15/h2-5,7,9-10,12,15H,6,8,11H2,1H3
InChIKey IDXGZTXHABYIKZ-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C20H18O3
Exact Mass 306.125594 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 3kraNoEQsq
Name Coumatetralyl-isomer-2 ME
Classification Anticoagulant Rodenticide
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 306.125594437 u
Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-22-19-16-10-4-5-12-17(16)23-20(21)18(19)15-11-6-8-13-7-2-3-9-14(13)15/h2-5,7,9-10,12,15H,6,8,11H2,1H3
InChIKey IDXGZTXHABYIKZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 306.361 g/mol
SMILES C1(=C(c2c(cccc2)OC1=O)OC)C1c2c(cccc2)CCC1
SPLASH splash10-0a4i-4954000000-851ec3a509327281d595
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Coumatetralyl isomer-2 ME
Technique GC/MS
Wiley ID MMPW6e_2084