| SpectraBase Spectrum ID |
Hy1Ariqqz52 |
| Name |
Terephthalic acid, hexyl 3-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.162373868 u |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-3-4-5-6-14-25-20(22)16-10-12-17(13-11-16)21(23)26-19-9-7-8-18(15-19)24-2/h7-13,15H,3-6,14H2,1-2H3 |
| InChIKey |
LCDCHSQJXMYTHP-UHFFFAOYSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCC)=O)C(OC1=CC(OC)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869515 |
