| SpectraBase Spectrum ID |
JEq1JWd6Rfc |
| Name |
4-Methylbenzoic acid anhydride |
| CAS Registry Number |
13222-85-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
254.094294308 u |
| Formula |
C16H14O3 |
| InChI |
InChI=1S/C16H14O3/c1-11-3-7-13(8-4-11)15(17)19-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
| InChIKey |
BJMLLSSSTGHJJE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
254.285 g/mol |
| Nominal Mass |
254 u |
| Quality |
1000 |
| Retention Index |
2151 |
| SMILES |
C(C1=CC=C(C=C1)C)(OC(C=1C=CC(=CC1)C)=O)=O |
| SPLASH |
splash10-014i-7930000000-052de15ba4ab8952310a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic 4-methylbenzoic anhydride |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025324 |
