| SpectraBase Spectrum ID |
8Gd2jac3VQm |
| Name |
Doxylamine-M (-C4H11NO) |
| CAS Registry Number |
15260-65-8 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.089149358 u |
| Formula |
C13H11N |
| InChI |
InChI=1S/C13H11N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-10H,1H2 |
| InChIKey |
WLFQFTSISRWCNV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
181.238 g/mol |
| Nominal Mass |
181 u |
| Quality |
910 |
| Retention Index |
1446 |
| SMILES |
C(C1=CC=CC=C1)(C1=NC=CC=C1)=C |
| SPLASH |
splash10-001i-3900000000-33a6e442a1aa89f532ee |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(1-Phenylethenyl)pyridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021637 |
