| SpectraBase Spectrum ID |
H81I5McBdt8 |
| Name |
Isophthalic acid, isobutyl 4-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-14(2)13-24-20(22)17-6-5-7-18(12-17)21(23)25-19-10-8-16(9-11-19)15(3)4/h5-12,14-15H,13H2,1-4H3 |
| InChIKey |
QOWSOOUGPULCDX-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869618 |
