| SpectraBase Spectrum ID |
8JKfNiMGkAy |
| Name |
3,5-Diphenyl-4-methyl-3-penten-2-one |
| CAS Registry Number |
81826-04-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
250.135765199 u |
| Formula |
C18H18O |
| InChI |
InChI=1S/C18H18O/c1-14(13-16-9-5-3-6-10-16)18(15(2)19)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3/b18-14- |
| InChIKey |
CKQFBKNGJPGQNJ-JXAWBTAJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
250.341 g/mol |
| Nominal Mass |
250 u |
| Quality |
986 |
| Retention Index |
1871 |
| SMILES |
C=1(\C(=C/(CC=2C=CC=CC2)C)C(=O)C)C=CC=CC1 |
| SPLASH |
splash10-0a4l-2900000000-98d00969ed2ac01a93b6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methyl-3,5-diphenylpent-3-en-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032284 |
