SpectraBase Spectrum ID |
K27iQRm4Fqu |
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 |
906 |
Retention Index |
2098 |
SMILES |
C(C1=CC=C(C=C1)OC(=O)C)(C1=CC=CC=C1)OC(=O)C |
SPLASH |
splash10-001i-1910000000-a029b4fe8ca119ed0c74 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(4-Acetoxyphenyl)phenylcarbinol acetate |
Technique |
GC/MS |
Wiley ID |
DD2024_013649 |