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Benzene, 1-nitro-4-(1,1,2-tributyl-2-phenylhexyl)-
SpectraBase Compound ID E1dnPycJ6aF
InChI InChI=1S/C30H45NO2/c1-5-9-22-29(23-10-6-2,26-16-14-13-15-17-26)30(24-11-7-3,25-12-8-4)27-18-20-28(21-19-27)31(32)33/h13-21H,5-12,22-25H2,1-4H3
InChIKey JAWVBDROYXMQTD-UHFFFAOYSA-N
Mol Weight 451.7 g/mol
Molecular Formula C30H45NO2
Exact Mass 451.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbM8TUpRhoq
Name Benzene, 1-nitro-4-(1,1,2-tributyl-2-phenylhexyl)-
Alternate Name(s) 1-Nitro-4-(1,1,2-tributyl-2-phenylhexyl)benzene 5,6-Dibutyl-5-(4'-nitrophenyl)-6-phenyldecane
CAS Registry Number 131237-44-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H45NO2
InChI InChI=1S/C30H45NO2/c1-5-9-22-29(23-10-6-2,26-16-14-13-15-17-26)30(24-11-7-3,25-12-8-4)27-18-20-28(21-19-27)31(32)33/h13-21H,5-12,22-25H2,1-4H3
InChIKey JAWVBDROYXMQTD-UHFFFAOYSA-N
Molecular Weight 451.695 g/mol
SMILES c1(N(=O)=O)ccc(C(C(c2ccccc2)(CCCC)CCCC)(CCCC)CCCC)cc1
SPLASH splash10-0006-8921000000-ad0bb734ce630ba92eea
Source of Spectrum J-56-607-2
Wiley ID 1388038