| SpectraBase Spectrum ID |
JG9CobVG52W |
| Name |
3,4-Diphenyl-3-buten-2-one |
| CAS Registry Number |
1722-69-6 |
| 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 |
222.104465070 u |
| Formula |
C16H14O |
| InChI |
InChI=1S/C16H14O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12- |
| InChIKey |
PXTNHINUEHWZIX-VBKFSLOCSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.287 g/mol |
| Nominal Mass |
222 u |
| Quality |
995 |
| Retention Index |
1671 |
| SMILES |
C1(\C(=C/C2=CC=CC=C2)C(=O)C)=CC=CC=C1 |
| SPLASH |
splash10-004i-2930000000-aa01b34f6e201d866c99 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-diphenylbut-3-en-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019610 |
