SpectraBase Spectrum ID |
LxTcj4TRzut |
Name |
Diphenhydramine |
CAS Registry Number |
58-73-1 |
Classification |
Antihistamine |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
255.162314299 u |
Formula |
C17H21NO |
InChI |
InChI=1S/C17H21NO/c1-14(2)18-13-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3 |
InChIKey |
JLSXJVPXXQPMDF-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
255.361 g/mol |
SMILES |
c1ccccc1C(c1ccccc1)OCNC(C)C |
SPLASH |
splash10-0a4i-9200000000-ea8c27bf7ca7e5e4f12e |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Sample Preparation Procedure |
Detected: P G U |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_731 |