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((1R,2S, 5R)-2-[(2'-Isopropyl-5'-methylcyclohexyloxycarbonyl)amino]cyclohex-3'-enyl (1S,2R)-Benzoate
SpectraBase Compound ID 6lVfeHONnbI
InChI InChI=1S/C24H33NO4/c1-16(2)19-14-13-17(3)15-22(19)29-24(27)25-20-11-7-8-12-21(20)28-23(26)18-9-5-4-6-10-18/h4-7,9-11,16-17,19-22H,8,12-15H2,1-3H3,(H,25,27)/t17?,19?,20-,21-,22?/m0/s1
InChIKey MWLUNXRZZAZPEJ-QVAHLCTCSA-N
Mol Weight 399.5 g/mol
Molecular Formula C24H33NO4
Exact Mass 399.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88Qg7ABwLzc
Name ((1R,2S, 5R)-2-[(2'-Isopropyl-5'-methylcyclohexyloxycarbonyl)amino]cyclohex-3'-enyl (1S,2R)-Benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33NO4
InChI InChI=1S/C24H33NO4/c1-16(2)19-14-13-17(3)15-22(19)29-24(27)25-20-11-7-8-12-21(20)28-23(26)18-9-5-4-6-10-18/h4-7,9-11,16-17,19-22H,8,12-15H2,1-3H3,(H,25,27)/t17?,19?,20-,21-,22?/m0/s1
InChIKey MWLUNXRZZAZPEJ-QVAHLCTCSA-N
Molecular Weight 399.531 g/mol
SMILES N(C(OC1C(CCC(C1)C)C(C)C)=O)[C@@]1([C@@](OC(=O)c2ccccc2)(CCC=C1)[H])[H]
SPLASH splash10-0a4i-9600000000-db4c9f4b7685394b8d98
Source of Spectrum G4-71-348-19a
Wiley ID 1694960