| SpectraBase Spectrum ID |
2bsBWvbJMAI |
| Name |
Terephthalic acid, hexyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-3-4-5-8-15-24-20(22)17-11-13-18(14-12-17)21(23)25-19-10-7-6-9-16(19)2/h6-7,9-14H,3-5,8,15H2,1-2H3 |
| InChIKey |
SLRRJNCWFMOKQY-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCCC)=O)C(OC1=CC=CC=C1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902573 |
