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Methyl 5-ethyl-4-hexyl-3-hydroxy-2'-nitrobiphenyl-2-carboxylate
SpectraBase Compound ID IvpvuI54MVd
InChI InChI=1S/C22H27NO5/c1-4-6-7-8-11-16-15(5-2)14-18(20(21(16)24)22(25)28-3)17-12-9-10-13-19(17)23(26)27/h9-10,12-14,24H,4-8,11H2,1-3H3
InChIKey KTBWMYDJPSMIAF-UHFFFAOYSA-N
Mol Weight 385.46 g/mol
Molecular Formula C22H27NO5
Exact Mass 385.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZgBCQt48J3
Name Methyl 5-ethyl-4-hexyl-3-hydroxy-2'-nitrobiphenyl-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO5
InChI InChI=1S/C22H27NO5/c1-4-6-7-8-11-16-15(5-2)14-18(20(21(16)24)22(25)28-3)17-12-9-10-13-19(17)23(26)27/h9-10,12-14,24H,4-8,11H2,1-3H3
InChIKey KTBWMYDJPSMIAF-UHFFFAOYSA-N
Molecular Weight 385.460 g/mol
SMILES Oc1c(c(-c2c(N(=O)=O)cccc2)cc(CC)c1CCCCCC)C(=O)OC
SPLASH splash10-000i-0393000000-0c1696349802eee8e6e6
Source of Spectrum F-65-9305-6h
Wiley ID 1678981