| SpectraBase Spectrum ID |
ISS5X7r27tq |
| Name |
Terephthalic acid, butyl 4-heptyl 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/c1-4-7-14-22-18(20)15-10-12-16(13-11-15)19(21)23-17(8-5-2)9-6-3/h10-13,17H,4-9,14H2,1-3H3 |
| InChIKey |
LOONSZGCEVNJPI-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(CCC)CCC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939652 |
