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(E)-1-(2-Methylphenyl)oct-3-en-1-yne

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

(E)-1-(2-Methylphenyl)oct-3-en-1-yne
SpectraBase Compound ID GcKEmlGEGuD
InChI InChI=1S/C15H18/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h6-7,9-11,13H,3-5H2,1-2H3/b7-6+
InChIKey HUKUTLSUIJYAJW-VOTSOKGWSA-N
Mol Weight 198.31 g/mol
Molecular Formula C15H18
Exact Mass 198.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9gVOkJtiD4d
Name (E)-1-(2-Methylphenyl)oct-3-en-1-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.140850580 u
Formula C15H18
InChI InChI=1S/C15H18/c1-3-4-5-6-7-8-12-15-13-10-9-11-14(15)2/h6-7,9-11,13H,3-5H2,1-2H3/b7-6+
InChIKey HUKUTLSUIJYAJW-VOTSOKGWSA-N
Molecular Weight 198.309 g/mol
SMILES C(#C\C=C\CCCC)C=1C(=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843477