| SpectraBase Spectrum ID |
3qYAij1UblU |
| Name |
Phthalic acid, pentyl 2-propylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-4-7-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16-17(11-5-2)12-6-3/h8-9,13-14,17H,4-7,10-12,15-16H2,1-3H3 |
| InChIKey |
LGYNRYFCLGQAIH-UHFFFAOYSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94422 |
