(3aR,4R,7R,7aS)-2,4-dimethyl-7-[(1S,2R)-2-methylolcyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone

SpectraBase Compound ID	Dmaji1PtPbk
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+/m1/s1
InChIKey	SHCXWGBDEWCZRR-FVUFVHQMSA-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	G0on1NUvXsU
Name	(3aR,4R,7R,7aS)-2,4-dimethyl-7-[(1S,2R)-2-methylolcyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone
Copyright	Copyright © 2020-2025 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+/m1/s1
InChIKey	SHCXWGBDEWCZRR-FVUFVHQMSA-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	splash10-03i0-0920000000-16405840349af370e111
Source of Spectrum	KC-0-504-10
Synonyms	(3aS,4R,7R,7aR)-4-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-2,7-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Wiley ID	785163