(3aS,9aS)-N-(8-Mentholyl)-5-nitro-3a,4,9,9a-tetrahydrobenz[f]isoindoline

SpectraBase Compound ID	5zV0ZQsMHRl
InChI	InChI=1S/C22H32N2O3/c1-14-7-8-19(21(25)9-14)22(2,3)23-12-16-10-15-5-4-6-20(24(26)27)18(15)11-17(16)13-23/h4-6,14,16-17,19,21,25H,7-13H2,1-3H3/t14-,16-,17-,19-,21-/m1/s1
InChIKey	BZOZYJUFTWATPK-SRCIIISFSA-N Google Search
Mol Weight	372.5 g/mol
Molecular Formula	C22H32N2O3
Exact Mass	372.241293 g/mol

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SpectraBase Spectrum ID	1tn2QSSLsa0
Name	(3aS,9aS)-N-(8-Mentholyl)-5-nitro-3a,4,9,9a-tetrahydrobenz[f]isoindoline
Alternate Name(s)	(3aR,9aS)-N-(8-Mentholyl)-5-nitro-3a,4,9,9a-tetrahydrobenz[f]isoindoline 2-{1-[(3aS,9aS)-5-nitro-1,3,3a,4,9,9a-hexahydro-2H-benzo[f]isoindol-2-yl]-1-methylethyl}-5-methylcyclohexanol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H32N2O3
InChI	InChI=1S/C22H32N2O3/c1-14-7-8-19(21(25)9-14)22(2,3)23-12-16-10-15-5-4-6-20(24(26)27)18(15)11-17(16)13-23/h4-6,14,16-17,19,21,25H,7-13H2,1-3H3/t14-,16-,17-,19-,21-/m1/s1
InChIKey	BZOZYJUFTWATPK-SRCIIISFSA-N
Molecular Weight	372.509 g/mol
SMILES	O[C@]1([C@](C(N2C[C@]3(Cc4c(N(=O)=O)cccc4C[C@@]3(C2)[H])[H])(C)C)(CC[C@@](C)(C1)[H])[H])[H]
SPLASH	splash10-0a4l-9040000000-cab5285bb3d4aadc4033
Source of Spectrum	J-67-788-9
Wiley ID	1569089