| SpectraBase Spectrum ID |
7uQRkYYf1Kt |
| Name |
Phthalic acid, decyl hept-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.292659764 u |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-4-6-8-9-10-11-12-16-20-28-24(26)22-18-14-15-19-23(22)25(27)29-21(3)17-13-7-5-2/h14-15,18-19,21H,4-13,16-17,20H2,1-3H3 |
| InChIKey |
FHPUQTXRIKKPPT-UHFFFAOYSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942225 |
