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1,3-Cyclohexadiene, 1-(1,1-dimethylethyl)-4-propyl-

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

1,3-Cyclohexadiene, 1-(1,1-dimethylethyl)-4-propyl-
SpectraBase Compound ID ChHSAzfDED6
InChI InChI=1S/C13H22/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h7,9H,5-6,8,10H2,1-4H3
InChIKey UYCJCPAMQBLAMK-UHFFFAOYSA-N
Mol Weight 178.32 g/mol
Molecular Formula C13H22
Exact Mass 178.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7JfN0AwRJXX
Name 1,3-Cyclohexadiene, 1-(1,1-dimethylethyl)-4-propyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.172150708 u
Formula C13H22
InChI InChI=1S/C13H22/c1-5-6-11-7-9-12(10-8-11)13(2,3)4/h7,9H,5-6,8,10H2,1-4H3
InChIKey UYCJCPAMQBLAMK-UHFFFAOYSA-N
Molecular Weight 178.319 g/mol
SMILES C1(=CC=C(CC1)CCC)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949776