| SpectraBase Spectrum ID |
FmbXFOysEjf |
| Name |
Phthalic acid, nonyl 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 |
430.308309828 u |
| Formula |
C27H42O4 |
| InChI |
InChI=1S/C27H42O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-14-12-10-8-6-4-2/h13,15-17,20-21H,3-12,14,18-19,22-23H2,1-2H3/b15-13+ |
| InChIKey |
VZLTYUDEAHGGDQ-FYWRMAATSA-N |
| Molecular Weight |
430.629 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCCCCCCCC)=O)C(OCC\C=C\CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892623 |
