| SpectraBase Spectrum ID |
EXd5QfsTmq5 |
| Name |
Terephthalic acid, 6-methylhept-2-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-5-6-7-15-24-20(22)18-11-13-19(14-12-18)21(23)25-17(4)10-8-9-16(2)3/h11-14,16-17H,5-10,15H2,1-4H3 |
| InChIKey |
AGXXMXYOFQHOPU-UHFFFAOYSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(=O)OC(C)CCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928701 |
