| SpectraBase Spectrum ID |
4v0zrHP0Zev |
| Name |
Terephthalic acid, butyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-7-5-10(6-8-11)12(14)16-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
QLQUJFWQAAVXQO-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954923 |
