| SpectraBase Spectrum ID |
GsERfL5lQub |
| Name |
Cocaine-M (HO-di-methoxy-) AC |
| Classification |
Local anesthetic
Addictive drug |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
421.173666825 u |
| Formula |
C21H27NO8 |
| InChI |
InChI=1S/C21H27NO8/c1-11(23)29-19-16(26-3)8-12(9-17(19)27-4)20(24)30-15-10-13-6-7-14(22(13)2)18(15)21(25)28-5/h8-9,13-15,18H,6-7,10H2,1-5H3 |
| InChIKey |
IDVLFAFQPYUZSK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
421.446 g/mol |
| SMILES |
CC(Oc1c(cc(cc1OC)C(OC1CC2N(C(C1C(OC)=O)CC2)C)=O)OC)=O |
| SPLASH |
splash10-001i-9500000000-35672707dc3d4970d2a6 |
| 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: UGLUCAC |
| 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_5945 |
