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[( Cyclohexylcarbamoyl)-(3'-nitrophenyl)methyl] 3"-Chlorobenzoate
SpectraBase Compound ID H7r0bg2DK2y
InChI InChI=1S/C21H21ClN2O5/c22-16-8-4-7-15(12-16)21(26)29-19(14-6-5-11-18(13-14)24(27)28)20(25)23-17-9-2-1-3-10-17/h4-8,11-13,17,19H,1-3,9-10H2,(H,23,25)
InChIKey ZHVKSRRTJWWAKJ-UHFFFAOYSA-N
Mol Weight 416.86 g/mol
Molecular Formula C21H21ClN2O5
Exact Mass 416.113899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4njFMBVFaWx
Name [( Cyclohexylcarbamoyl)-(3'-nitrophenyl)methyl] 3"-Chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN2O5
InChI InChI=1S/C21H21ClN2O5/c22-16-8-4-7-15(12-16)21(26)29-19(14-6-5-11-18(13-14)24(27)28)20(25)23-17-9-2-1-3-10-17/h4-8,11-13,17,19H,1-3,9-10H2,(H,23,25)
InChIKey ZHVKSRRTJWWAKJ-UHFFFAOYSA-N
Molecular Weight 416.861 g/mol
SMILES N(C(C(OC(c1cc(Cl)ccc1)=O)c1cc(N(=O)=O)ccc1)=O)C1CCCCC1
SPLASH splash10-000i-3910200000-79de0c305bcc651bfaa2
Source of Spectrum AH-84-797-4
Synonyms 2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxoethyl 3-chlorobenzoate
Wiley ID 1584687