| SpectraBase Spectrum ID |
LekGmzOMt8Y |
| Name |
Phthalic acid, hexyl 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 |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-5-6-7-10-16-25-21(23)19-14-8-9-15-20(19)22(24)26-18(4)13-11-12-17(2)3/h8-9,14-15,17-18H,5-7,10-13,16H2,1-4H3 |
| InChIKey |
JLAJZZOXSCVPLC-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961195 |
