| SpectraBase Spectrum ID |
JF5XBCXjSXg |
| Name |
Nordoxepin |
| CAS Registry Number |
1225-56-5 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
265.146664235 u |
| Formula |
C18H19NO |
| InChI |
InChI=1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10- |
| InChIKey |
HVKCEFHNSNZIHO-YBEGLDIGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
265.356 g/mol |
| Nominal Mass |
265 u |
| Quality |
985 |
| Retention Index |
2122 |
| SMILES |
C=12\C(C3=C(OCC2=CC=CC1)C=CC=C3)=C\CCNC |
| SPLASH |
splash10-0006-9100000000-348729a9823fdc67a6a5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Desmethyldoxepine
(3Z)-3-Dibenzo[b,E]oxepin-11-(6H)-ylidene-N-methyl-1-propanamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003290 |
