| SpectraBase Spectrum ID |
1qFwwdi7nrr |
| Name |
Isophthalic acid, isobutyl 3-methylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-11(2)10-20-16(18)14-7-6-8-15(9-14)17(19)21-13(5)12(3)4/h6-9,11-13H,10H2,1-5H3 |
| InChIKey |
HONVRZVWRWANHH-UHFFFAOYSA-N |
| SMILES |
C(OC(C1=CC(C(OCC(C)C)=O)=CC=C1)=O)(C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93485 |
