| SpectraBase Spectrum ID |
FR6t8qHpqGb |
| Name |
Phthalic acid, 3,3-dimethylbut-2-yl hexyl 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/c1-6-7-8-11-14-23-18(21)16-12-9-10-13-17(16)19(22)24-15(2)20(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3 |
| InChIKey |
WOCLUILMEVQFEP-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1=CC=CC(=C1C(OC(C(C)(C)C)C)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841594 |
