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Methyl 5-butyl-4-hexyl-3-hydroxy-2'-nitrobiphenyl-2-carboxylate
SpectraBase Compound ID RZEFCDOQA3
InChI InChI=1S/C24H31NO5/c1-4-6-8-9-13-18-17(12-7-5-2)16-20(22(23(18)26)24(27)30-3)19-14-10-11-15-21(19)25(28)29/h10-11,14-16,26H,4-9,12-13H2,1-3H3
InChIKey BDDFLPSRNPUBCM-UHFFFAOYSA-N
Mol Weight 413.51 g/mol
Molecular Formula C24H31NO5
Exact Mass 413.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z3cNN9eTI
Name Methyl 5-butyl-4-hexyl-3-hydroxy-2'-nitrobiphenyl-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO5
InChI InChI=1S/C24H31NO5/c1-4-6-8-9-13-18-17(12-7-5-2)16-20(22(23(18)26)24(27)30-3)19-14-10-11-15-21(19)25(28)29/h10-11,14-16,26H,4-9,12-13H2,1-3H3
InChIKey BDDFLPSRNPUBCM-UHFFFAOYSA-N
Molecular Weight 413.514 g/mol
SMILES Oc1c(c(-c2c(N(=O)=O)cccc2)cc(c1CCCCCC)CCCC)C(=O)OC
SPLASH splash10-03k9-1495200000-a4e5d0a98f2e480d9ddc
Source of Spectrum F-65-9307-6q
Wiley ID 1678972