| SpectraBase Spectrum ID |
6lb7042EKRR |
| Name |
Propanedioic acid, (1,2-dihydro-4-phenyl-2-naphthalenyl)-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.136159120 u |
| Formula |
C21H20O4 |
| InChI |
InChI=1S/C21H20O4/c1-24-20(22)19(21(23)25-2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,13,16,19H,12H2,1-2H3 |
| InChIKey |
VVKUWZUQKKJVAO-UHFFFAOYSA-N |
| Molecular Weight |
336.387 g/mol |
| SMILES |
C1=CC=CC2=C1C(=CC(C2)C(C(OC)=O)C(OC)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862518 |
