| SpectraBase Spectrum ID |
FuGrhlBa4XH |
| Name |
Terephthalic acid, pentyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-3-4-5-10-18-14(16)12-8-6-11(7-9-12)13(15)17-2/h6-9H,3-5,10H2,1-2H3 |
| InChIKey |
ZIBVHEUSFGTSTG-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875602 |
