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

*Links on SpectraBase are not permalinks.
Coumatetralyl-M isomer-3 2TMS
SpectraBase Compound ID JEVefmNvXMj
InChI InChI=1S/C25H32O4Si2/c1-30(2,3)28-18-14-15-22-21(16-18)24(29-31(4,5)6)23(25(26)27-22)20-13-9-11-17-10-7-8-12-19(17)20/h7-8,10,12,14-16,20H,9,11,13H2,1-6H3
InChIKey NYNJHFRDUNVEOC-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C25H32O4Si2
Exact Mass 452.183913 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 dfxfrjQeJP
Name Coumatetralyl-M isomer-3 2TMS
Classification Anticoagulant Rodenticide
Comments Structure comment: Wiggly bond = unknown position of substituent
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 452.183912576 u
Formula C25H32O4Si2
InChI InChI=1S/C25H32O4Si2/c1-30(2,3)28-18-14-15-22-21(16-18)24(29-31(4,5)6)23(25(26)27-22)20-13-9-11-17-10-7-8-12-19(17)20/h7-8,10,12,14-16,20H,9,11,13H2,1-6H3
InChIKey NYNJHFRDUNVEOC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.697 g/mol
SMILES C1(=C(c2cc(O[Si](C)(C)C)ccc2OC1=O)O[Si](C)(C)C)C1c2c(cccc2)CCC1
SPLASH splash10-0fk9-6449700000-7ea1a9203291a743d2e4
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: UTMS
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Coumatetralyl-M (HO-) isomer-3 2TMS
Technique GC/MS
Wiley ID MMPW6e_5027