| SpectraBase Spectrum ID |
L8UZrjdZeXi |
| Name |
5,6-Diallyldodec-5-en-7-yne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.219100902 u |
| Formula |
C18H28 |
| InChI |
InChI=1S/C18H28/c1-5-9-11-12-16-18(14-8-4)17(13-7-3)15-10-6-2/h7-8H,3-6,9-11,13-15H2,1-2H3/b18-17+ |
| InChIKey |
KDQBUSDZEKZXLB-ISLYRVAYSA-N |
| Molecular Weight |
244.422 g/mol |
| SMILES |
C(\C(=C\(CCCC)CC=C)CC=C)#CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967141 |
