SpectraBase Compound ID | GieBGnWzhGD |
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InChI | InChI=1S/C14H20/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h6-9,11-12H,3-5,10H2,1-2H3/b13-9- |
InChIKey | LMKJSQZHGZOXSG-LCYFTJDESA-N |
Mol Weight | 188.31 g/mol |
Molecular Formula | C14H20 |
Exact Mass | 188.156501 g/mol |
SpectraBase Spectrum ID | 3b27IZlgllE |
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Name | (Z, E)-4-Phenyl-4-octene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 188.156500644 u |
Formula | C14H20 |
InChI | InChI=1S/C14H20/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h6-9,11-12H,3-5,10H2,1-2H3/b13-9- |
InChIKey | LMKJSQZHGZOXSG-LCYFTJDESA-N |
Molecular Weight | 188.314 g/mol |
SMILES | C=1C=CC=CC1\C(=C/CC)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972743 |