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Benzene, 2-(1-decyl-1-undecenyl)-1,4-dimethyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Benzene, 2-(1-decyl-1-undecenyl)-1,4-dimethyl-
SpectraBase Compound ID 8uePxrxbmB6
InChI InChI=1S/C29H50/c1-5-7-9-11-13-15-17-19-21-28(29-25-26(3)23-24-27(29)4)22-20-18-16-14-12-10-8-6-2/h21,23-25H,5-20,22H2,1-4H3/b28-21+
InChIKey HSENBQKKQBBBPT-SGWCAAJKSA-N
Mol Weight 398.7 g/mol
Molecular Formula C29H50
Exact Mass 398.391252 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8GyC98VZxnO
Name Benzene, 2-(1-decyl-1-undecenyl)-1,4-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.391251610 u
Formula C29H50
InChI InChI=1S/C29H50/c1-5-7-9-11-13-15-17-19-21-28(29-25-26(3)23-24-27(29)4)22-20-18-16-14-12-10-8-6-2/h21,23-25H,5-20,22H2,1-4H3/b28-21+
InChIKey HSENBQKKQBBBPT-SGWCAAJKSA-N
Molecular Weight 398.719 g/mol
SMILES C(\C(=C/CCCCCCCCC)C1=C(C)C=CC(=C1)C)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951458