| SpectraBase Spectrum ID |
2nzrXqWTfOq |
| Name |
Doxylamine-M (-C4H11NO,+OH) AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
239.094628661 u |
| Formula |
C15H13NO2 |
| InChI |
InChI=1S/C15H13NO2/c1-11(14-8-5-6-10-16-14)13-7-3-4-9-15(13)18-12(2)17/h3-10H,1H2,2H3 |
| InChIKey |
VWADLLRRSVUDAA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
239.274 g/mol |
| Nominal Mass |
239 u |
| Quality |
894 |
| Retention Index |
1851 |
| SMILES |
C1(=C(C=CC=C1)OC(=O)C)C(C1=NC=CC=C1)=C |
| SPLASH |
splash10-0002-1900000000-e5d90deb747636424655 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(1-(pyridin-2-yl)ethenyl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006244 |
