| 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 |
