| SpectraBase Spectrum ID |
KibqaSNpMSK |
| Name |
Terephthalic acid, 3-methoxyphenyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.146723803 u |
| Formula |
C20H22O5 |
| InChI |
InChI=1S/C20H22O5/c1-3-4-5-13-24-19(21)15-9-11-16(12-10-15)20(22)25-18-8-6-7-17(14-18)23-2/h6-12,14H,3-5,13H2,1-2H3 |
| InChIKey |
GJNQAUDUKXVGRR-UHFFFAOYSA-N |
| Molecular Weight |
342.391 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(OC1=CC(OC)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894706 |
