| SpectraBase Spectrum ID |
DH8D9tFWTeg |
| Name |
Phthalic acid, hexyl 2-propylpentyl 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/c1-4-7-8-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17-18(12-5-2)13-6-3/h9-10,14-15,18H,4-8,11-13,16-17H2,1-3H3 |
| InChIKey |
NHFUGUHIJYOTQM-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953482 |
