| SpectraBase Spectrum ID |
GVQA6CG0JWF |
| Name |
2-(3,5-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.073952784 u |
| Formula |
C19H14O7 |
| InChI |
InChI=1S/C19H14O7/c1-8-6-10(19(24)25)14(12(7-8)26-2)15-16(21)9-4-3-5-11(20)13(9)17(22)18(15)23/h3-7,20,23H,1-2H3,(H,24,25) |
| InChIKey |
PBKZJIMGHNPKBJ-UHFFFAOYSA-N |
| Molecular Weight |
354.314 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2O)O)C=1C(C(=O)O)=CC(=CC1OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861234 |
