| SpectraBase Spectrum ID |
9kFxElZlvTJ |
| Name |
di(Z)-non-3-Enyl phthalate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.277009700 u |
| Formula |
C26H38O4 |
| InChI |
InChI=1S/C26H38O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h11-16,19-20H,3-10,17-18,21-22H2,1-2H3/b13-11-,14-12- |
| InChIKey |
QKKJDMQLYBFXCG-XSYHWHKQSA-N |
| Molecular Weight |
414.586 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(=O)OCC\C=C/CCCCC)C(=O)OCC\C=C/CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899081 |
