| SpectraBase Compound ID | Keeo8tpktq3 |
|---|---|
| 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 |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C16H14O3 |
| Exact Mass | 254.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4l66ZiCOd25 |
|---|---|
| Name | 3-Methylbenzoic acid anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. 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 |
| Molecular Weight | 254.285 g/mol |
| SMILES | C1(C(OC(C=2C=C(C=CC2)C)=O)=O)=CC(=CC=C1)C |