| SpectraBase Spectrum ID |
ImUHf7p0ekq |
| Name |
Terephthalic acid, di(3-methyl-5-methoxypentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.235538809 u |
| Formula |
C22H34O6 |
| InChI |
InChI=1S/C22H34O6/c1-17(9-13-25-3)11-15-27-21(23)19-5-7-20(8-6-19)22(24)28-16-12-18(2)10-14-26-4/h5-8,17-18H,9-16H2,1-4H3 |
| InChIKey |
ZNVMRTIMGHNLCM-UHFFFAOYSA-N |
| Molecular Weight |
394.508 g/mol |
| SMILES |
CC(CCOC)CCOC(C1=CC=C(C(OCCC(CCOC)C)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924411 |
