((1R,2S, 5R)-2-[(2'-Isopropyl-5'-methylcyclohexyloxycarbonyl)amino]cyclohex-3'-enyl (1R,2S)-Benzoate

SpectraBase Compound ID	Ar1uH5aSk99
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-/m1/s1
InChIKey	MWLUNXRZZAZPEJ-ZQOQTTQJSA-N Google Search
Mol Weight	399.5 g/mol
Molecular Formula	C24H33NO4
Exact Mass	399.240959 g/mol

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SpectraBase Spectrum ID	E280GABROef
Name	((1R,2S, 5R)-2-[(2'-Isopropyl-5'-methylcyclohexyloxycarbonyl)amino]cyclohex-3'-enyl (1R,2S)-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-/m1/s1
InChIKey	MWLUNXRZZAZPEJ-ZQOQTTQJSA-N
Molecular Weight	399.531 g/mol
SMILES	N(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[C@@]1([C@@](OC(=O)c2ccccc2)(CCC=C1)[H])[H]
SPLASH	splash10-0a4i-9810000000-cad3eb0c6c7dd927ec6a
Source of Spectrum	G4-71-348-19b
Wiley ID	1694959