| SpectraBase Spectrum ID |
f71U7DG82R |
| Name |
Phthalic acid, isobutyl 6-methylhept-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-14(2)9-8-10-16(5)24-20(22)18-12-7-6-11-17(18)19(21)23-13-15(3)4/h6-7,11-12,14-16H,8-10,13H2,1-5H3 |
| InChIKey |
HKIRDCSNFFQJNB-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96185 |
