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Benzene, (1-hexylheptyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 6 MS (GC)

Benzene, (1-hexylheptyl)-
SpectraBase Compound ID 2wOOwPeTrJy
InChI InChI=1S/C19H32/c1-3-5-7-10-14-18(15-11-8-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3
InChIKey IMXZNWPPLCVUDT-UHFFFAOYSA-N
Mol Weight 260.5 g/mol
Molecular Formula C19H32
Exact Mass 260.250401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IihM8gh5ZnT
Name Benzene, (1-hexylheptyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.250401030 u
Formula C19H32
InChI InChI=1S/C19H32/c1-3-5-7-10-14-18(15-11-8-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3
InChIKey IMXZNWPPLCVUDT-UHFFFAOYSA-N
Molecular Weight 260.465 g/mol
SMILES C(C(CCCCCC)C1=CC=CC=C1)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894538