| SpectraBase Spectrum ID |
HJrciuWldDQ |
| Name |
Phthalic acid, hept-3-yl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-4-7-9-10-11-12-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20(6-3)16-8-5-2/h13-14,17-18,20H,4-12,15-16,19H2,1-3H3 |
| InChIKey |
GAAAEDOVXHQYTH-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1=CC=CC(=C1C(OC(CC)CCCC)=O)C(OCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805342 |
