| SpectraBase Spectrum ID |
JI06h6tUen2 |
| Name |
Diphenhydramine-M (-(CH3)2NC2H5,+OH) 2AC |
| CAS Registry Number |
233584-35-5 |
| 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 |
284.104858991 u |
| Formula |
C17H16O4 |
| InChI |
InChI=1S/C17H16O4/c1-12(18)20-16-10-8-15(9-11-16)17(21-13(2)19)14-6-4-3-5-7-14/h3-11,17H,1-2H3 |
| InChIKey |
ARXAVYIETWNXOE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
284.311 g/mol |
| Nominal Mass |
284 u |
| Quality |
866 |
| Retention Index |
2098 |
| SMILES |
C(C1=CC=C(C=C1)OC(=O)C)(C1=CC=CC=C1)OC(=O)C |
| SPLASH |
splash10-001i-1910000000-a1461c56a81d11a5d139 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4-Acetoxyphenyl)phenylcarbinol acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008106 |
