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(E)-2-(o-Chlorophenyl)-6-hydroxy-2-[(methoxycarbonyl)methylamino]cyclohexanone
SpectraBase Compound ID 4lKJiUFx90v
InChI InChI=1S/C15H18ClNO4/c1-17(14(20)21-2)15(9-5-8-12(18)13(15)19)10-6-3-4-7-11(10)16/h3-4,6-7,12,18H,5,8-9H2,1-2H3
InChIKey DBEQGWOUNFWGJO-UHFFFAOYSA-N
Mol Weight 311.77 g/mol
Molecular Formula C15H18ClNO4
Exact Mass 311.092436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xrCIGI7ECY
Name (E)-2-(o-Chlorophenyl)-6-hydroxy-2-[(methoxycarbonyl)methylamino]cyclohexanone
CAS Registry Number 91003-20-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18ClNO4
InChI InChI=1S/C15H18ClNO4/c1-17(14(20)21-2)15(9-5-8-12(18)13(15)19)10-6-3-4-7-11(10)16/h3-4,6-7,12,18H,5,8-9H2,1-2H3
InChIKey DBEQGWOUNFWGJO-UHFFFAOYSA-N
Molecular Weight 311.765 g/mol
SMILES OC1C(C(N(C(=O)OC)C)(c2c(Cl)cccc2)CCC1)=O
SPLASH splash10-0il0-0390000000-716aec842e2fb4bcae82
Source of Spectrum J-49-3309-0
Wiley ID 1312313