| SpectraBase Spectrum ID |
1jPvET6UzY |
| Name |
Coumatetralyl-M (tri-HO-) -H2O 2ME |
| Classification |
Anticoagulant
Rodenticide |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
350.115423675 u |
| Formula |
C21H18O5 |
| InChI |
InChI=1S/C21H18O5/c1-24-13-8-10-17-15(11-13)20(25-2)19(21(23)26-17)18-14-6-4-3-5-12(14)7-9-16(18)22/h3-11,16,18,22H,1-2H3 |
| InChIKey |
HCXGSEZBRWIOFE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
350.370 g/mol |
| SMILES |
C1(=C(c2cc(OC)ccc2OC1=O)OC)C1c2c(cccc2)C=CC1O |
| SPLASH |
splash10-0udi-2759000000-304904662c24a44c3658 |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4799 |
