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5-(4-Phenyl-trans-3-butenyl)cyclohexa-1,3-diene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-(4-Phenyl-trans-3-butenyl)cyclohexa-1,3-diene
SpectraBase Compound ID DKmQ1oQYHgu
InChI InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-11,13,16H,8,12,14H2/b13-7+
InChIKey MZAWZGUKXFHDEN-NTUHNPAUSA-N
Mol Weight 210.32 g/mol
Molecular Formula C16H18
Exact Mass 210.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 77BG0gfPnVC
Name 5-(4-Phenyl-trans-3-butenyl)cyclohexa-1,3-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.140850580 u
Formula C16H18
InChI InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-11,13,16H,8,12,14H2/b13-7+
InChIKey MZAWZGUKXFHDEN-NTUHNPAUSA-N
Molecular Weight 210.320 g/mol
SMILES C=1C=CCC(C1)CC\C=C\C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891978