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Methyl 5-ethyl-3-hydroxy-2'-nitro-4-octylbiphenyl-2-carboxylate
SpectraBase Compound ID AuazXnw7gwF
InChI InChI=1S/C24H31NO5/c1-4-6-7-8-9-10-13-18-17(5-2)16-20(22(23(18)26)24(27)30-3)19-14-11-12-15-21(19)25(28)29/h11-12,14-16,26H,4-10,13H2,1-3H3
InChIKey RKRPCPKFTSVSHO-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 7Dgd6cqqgnc
Name Methyl 5-ethyl-3-hydroxy-2'-nitro-4-octylbiphenyl-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO5
InChI InChI=1S/C24H31NO5/c1-4-6-7-8-9-10-13-18-17(5-2)16-20(22(23(18)26)24(27)30-3)19-14-11-12-15-21(19)25(28)29/h11-12,14-16,26H,4-10,13H2,1-3H3
InChIKey RKRPCPKFTSVSHO-UHFFFAOYSA-N
Molecular Weight 413.514 g/mol
SMILES Oc1c(c(-c2c(N(=O)=O)cccc2)cc(c1CCCCCCCC)CC)C(=O)OC
SPLASH splash10-0jc0-1393200000-9c264a9f1b217b2c1516
Source of Spectrum F-65-9306-6j
Wiley ID 1678979