| SpectraBase Spectrum ID |
BCcMHmOIEpb |
| Name |
1-[(E)-6-Iodo-4-methylhex-3-enyl]-4-prop-1-en-2-ylcyclohexene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.100095805 u |
| Formula |
C16H25I |
| InChI |
InChI=1S/C16H25I/c1-13(2)16-9-7-15(8-10-16)6-4-5-14(3)11-12-17/h5,7,16H,1,4,6,8-12H2,2-3H3/b14-5+ |
| InChIKey |
FQYPGPAVPZXHLL-LHHJGKSTSA-N |
| Molecular Weight |
344.280 g/mol |
| SMILES |
C(I)C\C(=C\CCC=1CCC(CC1)C(=C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946983 |
![1-[(E)-6-iodo-4-methylhex-3-enyl]-4-prop-1-en-2-ylcyclohexene](/api/spectrum/BCcMHmOIEpb/structure.png?h=300&w=458 "1-[(E)-6-iodo-4-methylhex-3-enyl]-4-prop-1-en-2-ylcyclohexene")
