| SpectraBase Spectrum ID |
6BRn7ojZmiT |
| Name |
Terephthalic acid, 6-methylhept-2-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-5-13-22-18(20)16-9-11-17(12-10-16)19(21)23-15(4)8-6-7-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3 |
| InChIKey |
BWKJMPVOKDUZAL-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OC(C)CCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906716 |
