| SpectraBase Spectrum ID |
9XP2HxiibW |
| Name |
Terephthalic acid, hexyl 2-methoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.162373868 u |
| Formula |
C17H24O5 |
| InChI |
InChI=1S/C17H24O5/c1-3-4-5-6-11-21-16(18)14-7-9-15(10-8-14)17(19)22-13-12-20-2/h7-10H,3-6,11-13H2,1-2H3 |
| InChIKey |
IEISEZPSELQYJO-UHFFFAOYSA-N |
| SMILES |
C(OC(C1=CC=C(C=C1)C(OCCCCCC)=O)=O)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884338 |
