3-[2-(Hydroxymethyl)cyclohexyl]-N,6-dimethylcyclohex-4-ene-1,2-dicarboxaimide isomer

SpectraBase Compound ID	1JH9wL872Pw
InChI	InChI=1S/C17H25NO3/c1-10-7-8-13(12-6-4-3-5-11(12)9-19)15-14(10)16(20)18(2)17(15)21/h7-8,10-15,19H,3-6,9H2,1-2H3/t10-,11-,12+,13-,14-,15+/m0/s1
InChIKey	SHCXWGBDEWCZRR-RODWMJHOSA-N Google Search
Mol Weight	291.39 g/mol
Molecular Formula	C17H25NO3
Exact Mass	291.183444 g/mol

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SpectraBase Spectrum ID	9p8l4kWBa6Q
Name	3-[2-(Hydroxymethyl)cyclohexyl]-N,6-dimethylcyclohex-4-ene-1,2-dicarboxaimide isomer
Alternate Name(s)	(2S,4S,5R,6S)-4-((R)-2-Hydroxymethyl-cyclohexyl)-2-methyl-7-(S)-methyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione (3aR,4S,7S,7aS)-4-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-2,7-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H25NO3
InChI	InChI=1S/C17H25NO3/c1-10-7-8-13(12-6-4-3-5-11(12)9-19)15-14(10)16(20)18(2)17(15)21/h7-8,10-15,19H,3-6,9H2,1-2H3/t10-,11-,12+,13-,14-,15+/m0/s1
InChIKey	SHCXWGBDEWCZRR-RODWMJHOSA-N
Molecular Weight	291.391 g/mol
SMILES	OC[C@]1([C@]([C@]2([C@]3(C(N(C([C@]3([C@](C=C2)(C)[H])[H])=O)C)=O)[H])[H])(CCCC1)[H])[H]
SPLASH	splash10-01t9-0910000000-6d20139f5579018a244a
Source of Spectrum	KC-0-504-10
Wiley ID	785162