| SpectraBase Spectrum ID |
FSZFxyqgTn4 |
| Name |
Terephthalic acid, 2-methylhex-3-yl butyl 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/c1-5-7-13-22-18(20)15-9-11-16(12-10-15)19(21)23-17(8-6-2)14(3)4/h9-12,14,17H,5-8,13H2,1-4H3 |
| InChIKey |
MQCHJVHDZBJHDA-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(OC(C(C)C)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943246 |
