| SpectraBase Spectrum ID |
GTf6k70aZOv |
| Name |
Terephthalic acid, 3-methyl-5-methoxypentyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.178023932 u |
| Formula |
C18H26O5 |
| InChI |
InChI=1S/C18H26O5/c1-4-11-22-17(19)15-5-7-16(8-6-15)18(20)23-13-10-14(2)9-12-21-3/h5-8,14H,4,9-13H2,1-3H3 |
| InChIKey |
AKNGJEHWJMVTNJ-UHFFFAOYSA-N |
| Molecular Weight |
322.401 g/mol |
| SMILES |
C(OC(C1=CC=C(C=C1)C(OCCC)=O)=O)CC(CCOC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965603 |
