| SpectraBase Spectrum ID |
FbVbdPPHfN1 |
| Name |
Phthalic acid, octyl trans-dec-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.292659764 u |
| Formula |
C26H40O4 |
| InChI |
InChI=1S/C26H40O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h12,14-16,19-20H,3-11,13,17-18,21-22H2,1-2H3/b14-12+ |
| InChIKey |
XZKSLWFMICQWGF-WYMLVPIESA-N |
| Molecular Weight |
416.602 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCCCCCCC)=O)C(OCC\C=C\CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864334 |
