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Coumatetralyl-M isomer-2 2TMS
SpectraBase Compound ID 9gskcsjG0UB
InChI InChI=1S/C25H32O4Si2/c1-30(2,3)28-18-15-17-11-7-8-12-19(17)21(16-18)23-24(29-31(4,5)6)20-13-9-10-14-22(20)27-25(23)26/h7-14,18,21H,15-16H2,1-6H3
InChIKey DVLRAWXNMOPDFR-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C25H32O4Si2
Exact Mass 452.183913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ToCWkdstk
Name Coumatetralyl-M isomer-2 2TMS
Classification Anticoagulant Rodenticide
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 452.183912576 u
Formula C25H32O4Si2
InChI InChI=1S/C25H32O4Si2/c1-30(2,3)28-18-15-17-11-7-8-12-19(17)21(16-18)23-24(29-31(4,5)6)20-13-9-10-14-22(20)27-25(23)26/h7-14,18,21H,15-16H2,1-6H3
InChIKey DVLRAWXNMOPDFR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.697 g/mol
SMILES C1(=C(c2c(cccc2)OC1=O)O[Si](C)(C)C)C1c2c(cccc2)CC(C1)O[Si](C)(C)C
SPLASH splash10-03di-4129000000-5fd96d27d840680bc272
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-2 2TMS
Technique GC/MS
Wiley ID MMPW6e_5029