| SpectraBase Spectrum ID |
3O7j8UGjLyx |
| Name |
Cinnamoylcocaine isomer-2 |
| CAS Registry Number |
521-67-5 |
| Classification |
Alkaloid of
Erythroxylon Coca |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
329.162708221 u |
| Formula |
C19H23NO4 |
| InChI |
InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+ |
| InChIKey |
MQIXMJWNEKUAOZ-DHZHZOJOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
329.396 g/mol |
| SMILES |
C12C(C(OC(\C=C\c3ccccc3)=O)CC(N1C)CC2)C(=O)OC |
| SPLASH |
splash10-001i-9400000000-82a661645dc3624fc820 |
| 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 |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4403 |
