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2',4'-Dibutyl-6'-hydroxymethyl-4-nitrobiphenyl
SpectraBase Compound ID GC4U9vq3PKp
InChI InChI=1S/C21H27NO3/c1-3-5-7-16-13-18(8-6-4-2)21(19(14-16)15-23)17-9-11-20(12-10-17)22(24)25/h9-14,23H,3-8,15H2,1-2H3
InChIKey SYAPVMSSDGVUHB-UHFFFAOYSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcftiD3QKxE
Name 2',4'-Dibutyl-6'-hydroxymethyl-4-nitrobiphenyl
Alternate Name(s) (4,6-dibutyl-4'-nitro[1,1'-biphenyl]-2-yl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-3-5-7-16-13-18(8-6-4-2)21(19(14-16)15-23)17-9-11-20(12-10-17)22(24)25/h9-14,23H,3-8,15H2,1-2H3
InChIKey SYAPVMSSDGVUHB-UHFFFAOYSA-N
Molecular Weight 341.451 g/mol
SMILES OCc1c(c(cc(CCCC)c1)CCCC)-c1ccc(N(=O)=O)cc1
SPLASH splash10-0007-0089000000-e5b8c53be269643e130f
Source of Spectrum KC-61-11506-9
Wiley ID 1631493