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Benzene,(1-butylheptyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

Benzene,(1-butylheptyl)-
SpectraBase Compound ID K8EP07RJ5yh
InChI InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
InChIKey RRPCXIBGXYGQNC-UHFFFAOYSA-N
Mol Weight 232.41 g/mol
Molecular Formula C17H28
Exact Mass 232.219101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EPHOfw7lb5u
Name Benzene, (1-butylheptyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.219100902 u
Formula C17H28
InChI InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
InChIKey RRPCXIBGXYGQNC-UHFFFAOYSA-N
Molecular Weight 232.411 g/mol
SMILES C(C(CCCC)C1=CC=CC=C1)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883666