| SpectraBase Spectrum ID |
H7g8Syrl7oP |
| Name |
Cocaine-M (HO-di-methoxy-) TFA |
| 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 |
475.145401218 u |
| Formula |
C21H24F3NO8 |
| InChI |
InChI=1S/C21H24F3NO8/c1-25-11-5-6-12(25)16(19(27)31-4)13(9-11)32-18(26)10-7-14(29-2)17(15(8-10)30-3)33-20(28)21(22,23)24/h7-8,11-13,16H,5-6,9H2,1-4H3 |
| InChIKey |
HTOFCJDSOZVGLS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
475.417 g/mol |
| SMILES |
C(C(Oc1c(cc(cc1OC)C(OC1CC2N(C(C1C(OC)=O)CC2)C)=O)OC)=O)(F)(F)F |
| SPLASH |
splash10-001i-9410000000-be651a81f195ea78b2f4 |
| 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: UGLUCTFA |
| 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_5953 |
