| SpectraBase Spectrum ID |
8JaVNsIjAuG |
| Name |
3-Methylbenzoic acid anhydride |
| CAS Registry Number |
21436-44-2 |
| 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/c1-11-5-3-7-13(9-11)15(17)19-16(18)14-8-4-6-12(2)10-14/h3-10H,1-2H3 |
| InChIKey |
DGZSQLHPEZFGSI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
254.285 g/mol |
| Nominal Mass |
254 u |
| Quality |
989 |
| Retention Index |
2183 |
| SMILES |
C1(C(OC(C=2C=C(C=CC2)C)=O)=O)=CC(=CC=C1)C |
| SPLASH |
splash10-014i-7910000000-9873e57ad9ae8f20a6a1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Methylbenzoic anhydride |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026258 |
