| SpectraBase Spectrum ID |
8FQbN8xqFhA |
| Name |
1,3-Diacetylbenzene |
| CAS Registry Number |
6781-42-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
162.068079560 u |
| Formula |
C10H10O2 |
| InChI |
InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3 |
| InChIKey |
VCHOFVSNWYPAEF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
162.188 g/mol |
| Nominal Mass |
162 u |
| Quality |
906 |
| Retention Index |
1179 |
| SMILES |
C=1(C=C(C(=O)C)C=CC1)C(=O)C |
| SPLASH |
splash10-0002-6900000000-2316a8570c82b6e23b22 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,1'-(1,3-Phenylene)diethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018291 |
