| SpectraBase Spectrum ID |
KaODZjCWeV4 |
| Name |
1,6-Naphthalenedicarboxylic acid, 5,8-dihydro-4-hydroxy-5-phenyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.115423675 u |
| Formula |
C20H18O5 |
| InChI |
InChI=1S/C20H18O5/c1-24-19(22)14-10-11-16(21)18-13(14)8-9-15(20(23)25-2)17(18)12-6-4-3-5-7-12/h3-7,9-11,17,21H,8H2,1-2H3 |
| InChIKey |
DQYJAWULNKUUHF-UHFFFAOYSA-N |
| Molecular Weight |
338.359 g/mol |
| SMILES |
C1=2C(=C(C(=O)OC)C=CC2O)CC=C(C1C1=CC=CC=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935863 |
