| SpectraBase Spectrum ID |
G35uYj2WHsy |
| Name |
Brucine |
| CAS Registry Number |
357-57-3 |
| Classification |
Stimulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
394.189257321 u |
| Formula |
C23H26N2O4 |
| InChI |
InChI=1S/C23H26N2O4/c1-27-16-7-13-15(8-17(16)28-2)25-19(26)9-18-20-14-10-23(21(13)22(20)25)4-5-24(23)11-12(14)3-6-29-18/h3,7-8,14,18,20-22H,4-6,9-11H2,1-2H3 |
| InChIKey |
RIUVGRVXKNTPCA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
394.471 g/mol |
| SMILES |
COc1c(cc2c(N3C(CC4C5C6C(=CCO4)CN4C(C2C35)(CC4)C6)=O)c1)OC |
| SPLASH |
splash10-0006-2309000000-87c20097da1c2f8557fc |
| 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: U |
| 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_146 |
