| SpectraBase Spectrum ID |
3IvlSiQfZUH |
| Name |
Cocaine-M (HO-BZE) 2TBDMS |
| 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 |
533.299276682 u |
| Formula |
C28H47NO5Si2 |
| InChI |
InChI=1S/C28H47NO5Si2/c1-27(2,3)35(8,9)33-21-15-12-19(13-16-21)25(30)32-23-18-20-14-17-22(29(20)7)24(23)26(31)34-36(10,11)28(4,5)6/h12-13,15-16,20,22-24H,14,17-18H2,1-11H3 |
| InChIKey |
AYINFLWCZUDZMS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
533.856 g/mol |
| SMILES |
c1(ccc(cc1)O[Si](C)(C)C(C)(C)C)C(OC1CC2CCC(C1C(=O)O[Si](C)(C)C(C)(C)C)N2C)=O |
| SPLASH |
splash10-001i-9340120000-fe7fe441cf88bd20c6d9 |
| 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. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Cocaine-M (HO-benzoylecgonine) 2TBDMS |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6237 |
