| SpectraBase Spectrum ID |
JIq3vTGI4I4 |
| Name |
Diphenhydramine-M (-N(CH3)2,COOH) |
| CAS Registry Number |
21409-25-6 |
| 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 |
242.094294308 u |
| Formula |
C15H14O3 |
| InChI |
InChI=1S/C15H14O3/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17) |
| InChIKey |
KWGQOJWITMQEOT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
242.274 g/mol |
| Nominal Mass |
242 u |
| Quality |
944 |
| Retention Index |
1801 |
| SMILES |
OC(COC(C1=CC=CC=C1)C=1C=CC=CC1)=O |
| SPLASH |
splash10-014i-1900000000-0282ec75892d80335571 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetic acid,diphenylmethoxy-
Diphenylmethoxy-acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001203 |
