| SpectraBase Spectrum ID |
JZnDfSzL1pj |
| Name |
Methyl 2,3,4-triacetoxybenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.068867403 u |
| Formula |
C14H14O8 |
| InChI |
InChI=1S/C14H14O8/c1-7(15)20-11-6-5-10(14(18)19-4)12(21-8(2)16)13(11)22-9(3)17/h5-6H,1-4H3 |
| InChIKey |
PKVGZWADBPWFFC-UHFFFAOYSA-N |
| Molecular Weight |
310.258 g/mol |
| SMILES |
C(C=1C(=C(C(=CC1)OC(=O)C)OC(=O)C)OC(=O)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946667 |
