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1-Methyl-3-(1-phenylhexa-1,2,5-trien-3-yl)benzene

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

1-Methyl-3-(1-phenylhexa-1,2,5-trien-3-yl)benzene
SpectraBase Compound ID LLzheNLZhvp
InChI InChI=1S/C19H18/c1-3-8-18(19-12-7-9-16(2)15-19)14-13-17-10-5-4-6-11-17/h3-7,9-13,15H,1,8H2,2H3
InChIKey ZDLWQEMMBPGQDP-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C19H18
Exact Mass 246.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4a32qg8hlVn
Name 1-Methyl-3-(1-phenylhexa-1,2,5-trien-3-yl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.140850580 u
Formula C19H18
InChI InChI=1S/C19H18/c1-3-8-18(19-12-7-9-16(2)15-19)14-13-17-10-5-4-6-11-17/h3-7,9-13,15H,1,8H2,2H3
InChIKey ZDLWQEMMBPGQDP-UHFFFAOYSA-N
Molecular Weight 246.353 g/mol
SMILES C=1(C=C(C=CC1)C(=C=CC=1C=CC=CC1)CC=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809918