| SpectraBase Spectrum ID |
Ci2zCfwhyXR |
| Name |
Phthalic acid, ethyl 2-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-3-22-17(19)14-9-5-6-10-15(14)18(20)23-12-13-8-4-7-11-16(13)21-2/h4-11H,3,12H2,1-2H3 |
| InChIKey |
NQUUDDAQKDUNDZ-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C(C1=CC=CC=C1C(=O)OCC=1C(OC)=CC=CC1)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818 |
