| SpectraBase Spectrum ID |
l9JHObk5xb |
| Name |
Doxylamine-M (-C4H1ONO) |
| CAS Registry Number |
35854-35-4 |
| Classification |
Pharmaceutical drug, antihistaminic |
| 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 |
183.104799423 u |
| Formula |
C13H13N |
| InChI |
InChI=1S/C13H13N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-11H,1H3 |
| InChIKey |
ZFZPQOVKSLKIKI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
183.254 g/mol |
| Nominal Mass |
183 u |
| Quality |
853 |
| Retention Index |
1496 |
| SMILES |
C(C=1C=CC=CC1)(C1=NC=CC=C1)C |
| SPLASH |
splash10-001i-2900000000-7185b54ca9a99115de2d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(1-Phenylethyl)pyridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001259 |
