SpectraBase Spectrum ID |
92PrYGKWPG7 |
Name |
(E)-6-Phenyl-6-tridecene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
258.234750966 u |
Formula |
C19H30 |
InChI |
InChI=1S/C19H30/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h9,12-13,15-17H,3-8,10-11,14H2,1-2H3/b18-15+ |
InChIKey |
WEZUGOLMONDQMV-OBGWFSINSA-N |
Molecular Weight |
258.449 g/mol |
SMILES |
CCCCC\C(=C/CCCCCC)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924464 |