| SpectraBase Spectrum ID |
6vmy6N50K6a |
| Name |
Terephthalic acid, methyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-3-4-5-6-7-12-20-16(18)14-10-8-13(9-11-14)15(17)19-2/h8-11H,3-7,12H2,1-2H3 |
| InChIKey |
PAZLPKKVUUJKTD-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC)=O)C(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810162 |
