| SpectraBase Spectrum ID |
600Ay8MkoqC |
| Name |
Isophthalic acid, 2-ethoxyethyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.115423675 u |
| Formula |
C14H18O5 |
| InChI |
InChI=1S/C14H18O5/c1-3-17-8-9-19-14(16)12-7-5-6-11(10-12)13(15)18-4-2/h5-7,10H,3-4,8-9H2,1-2H3 |
| InChIKey |
GYQLBLFLWVQYIN-UHFFFAOYSA-N |
| Molecular Weight |
266.293 g/mol |
| SMILES |
C1=C(C=CC=C1C(OCC)=O)C(OCCOCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813594 |
