| SpectraBase Spectrum ID |
E5C6X7B2p9C |
| Name |
3-Hexyl-2-phenylbuta-1,3-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.172150708 u |
| Formula |
C16H22 |
| InChI |
InChI=1S/C16H22/c1-4-5-6-8-11-14(2)15(3)16-12-9-7-10-13-16/h7,9-10,12-13H,2-6,8,11H2,1H3 |
| InChIKey |
XZYLQONUDKEEMW-UHFFFAOYSA-N |
| Molecular Weight |
214.352 g/mol |
| SMILES |
C(C(=C)CCCCCC)(C1=CC=CC=C1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847882 |
