| SpectraBase Spectrum ID |
2nDf9HNua4e |
| Name |
Vetrabutine |
| CAS Registry Number |
3735-45-3 |
| Classification |
Tocolytic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
313.204179111 u |
| Formula |
C20H27NO2 |
| InChI |
InChI=1S/C20H27NO2/c1-21(2)18(12-8-11-16-9-6-5-7-10-16)17-13-14-19(22-3)20(15-17)23-4/h5-7,9-10,13-15,18H,8,11-12H2,1-4H3 |
| InChIKey |
HEFVRVOEBZDOJU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
313.441 g/mol |
| Nominal Mass |
313 u |
| Quality |
766 |
| Retention Index |
2376 |
| SMILES |
C(C1=CC(=C(C=C1)OC)OC)(N(C)C)CCCC1=CC=CC=C1 |
| SPLASH |
splash10-0006-0900000000-d2215746ad3c7d62cc38 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(R,S)-N-1-(3,4-dimethoxyphenyl)-4-phenylbutyl-N,N-dimethylamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006260 |
