| SpectraBase Spectrum ID |
2ndMYS642ym |
| Name |
Buspirone |
| CAS Registry Number |
36505-84-7 |
| Classification |
Pharmaceutical drug, tranquiliser |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
385.247775256 u |
| Formula |
C21H31N5O2 |
| InChI |
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 |
| InChIKey |
QWCRAEMEVRGPNT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
385.512 g/mol |
| Nominal Mass |
385 u |
| Quality |
934 |
| Retention Index |
3225 |
| SMILES |
C12(CC(N(C(C2)=O)CCCCN2CCN(C=3N=CC=CN3)CC2)=O)CCCC1 |
| SPLASH |
splash10-004i-1961000000-f274f430342a8ade6a7a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
8-(4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl)-8-azaspiro[4,5]decane-7,9-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009216 |
