| SpectraBase Spectrum ID |
D981GqOHgSy |
| Name |
Terephthalic acid, isobutyl 2-tetrahydrofurylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.146723803 u |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-12(2)10-21-16(18)13-5-7-14(8-6-13)17(19)22-11-15-4-3-9-20-15/h5-8,12,15H,3-4,9-11H2,1-2H3 |
| InChIKey |
VXVZNWDKJLXFTL-UHFFFAOYSA-N |
| Molecular Weight |
306.358 g/mol |
| SMILES |
CC(COC(=O)C1=CC=C(C=C1)C(=O)OCC1CCCO1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94438 |
