| SpectraBase Spectrum ID |
F9d6ebcdsEL |
| Name |
Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.053217338 u |
| Formula |
C12H12O8 |
| InChI |
InChI=1S/C12H12O8/c1-19-7(14)4-5-3-6(13)9(11(16)17)10(15)8(5)12(18)20-2/h3,13,15H,4H2,1-2H3,(H,16,17) |
| InChIKey |
CFQLTPLPHPDMDW-UHFFFAOYSA-N |
| SMILES |
C1(=C(C(=CC(=C1C(O)=O)O)CC(OC)=O)C(OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985179 |
