| SpectraBase Spectrum ID |
DmTd8Vt6hMW |
| Name |
Bunitrolol-A (CH2O,-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
260.152477890 u |
| Formula |
C15H20N2O2 |
| InChI |
InChI=1S/C15H20N2O2/c1-15(2,3)17-9-13(19-11-17)10-18-14-7-5-4-6-12(14)8-16/h4-7,13H,9-11H2,1-3H3 |
| InChIKey |
VSAWOSQVMWSUDQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
260.337 g/mol |
| Nominal Mass |
260 u |
| Quality |
876 |
| Retention Index |
2019 |
| SMILES |
C(N1CC(OC1)COC1=C(C=CC=C1)C#N)(C)(C)C |
| SPLASH |
splash10-0002-9480000000-f5dcb8b5351bfa305066 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-((3-tert-butyl-1,3-oxazolidin-5-yl)methoxy)benzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007923 |
