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Methyl 4-hexyl-3-hydroxy-2'-nitro-5-propylbiphenyl-2-carboxylate
SpectraBase Compound ID JWwq5m1a4Wk
InChI InChI=1S/C23H29NO5/c1-4-6-7-8-12-17-16(11-5-2)15-19(21(22(17)25)23(26)29-3)18-13-9-10-14-20(18)24(27)28/h9-10,13-15,25H,4-8,11-12H2,1-3H3
InChIKey GFEWGTQGECJBCA-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTQpwFmNThP
Name Methyl 4-hexyl-3-hydroxy-2'-nitro-5-propylbiphenyl-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-4-6-7-8-12-17-16(11-5-2)15-19(21(22(17)25)23(26)29-3)18-13-9-10-14-20(18)24(27)28/h9-10,13-15,25H,4-8,11-12H2,1-3H3
InChIKey GFEWGTQGECJBCA-UHFFFAOYSA-N
Molecular Weight 399.487 g/mol
SMILES Oc1c(c(-c2c(N(=O)=O)cccc2)cc(c1CCCCCC)CCC)C(=O)OC
SPLASH splash10-006t-6359100000-d1241f38fa041c90417c
Source of Spectrum F-65-9306-6n
Wiley ID 1678975