| SpectraBase Spectrum ID |
KPjPlpmk9iF |
| Name |
Isophthalic acid, bis(methoxycarbonylmethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.068867403 u |
| Formula |
C14H14O8 |
| InChI |
InChI=1S/C14H14O8/c1-19-11(15)7-21-13(17)9-4-3-5-10(6-9)14(18)22-8-12(16)20-2/h3-6H,7-8H2,1-2H3 |
| InChIKey |
YDMJGOBYDPGBRE-UHFFFAOYSA-N |
| Molecular Weight |
310.258 g/mol |
| SMILES |
C(OC)(COC(C1=CC(C(OCC(OC)=O)=O)=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810627 |
