(S)-Methyl [2-(1',3'-benzodioxol-5'-yl)-2-nitrocyclohexyl]acetate

SpectraBase Compound ID	9aFDRMrgmgf
InChI	InChI=1S/C16H19NO6/c1-21-15(18)9-11-4-2-3-7-16(11,17(19)20)12-5-6-13-14(8-12)23-10-22-13/h5-6,8,11H,2-4,7,9-10H2,1H3/t11?,16-/m0/s1
InChIKey	SHGLLLYEKXQMQU-NBFOKTCDSA-N Google Search
Mol Weight	321.33 g/mol
Molecular Formula	C16H19NO6
Exact Mass	321.121237 g/mol

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SpectraBase Spectrum ID	6a3yGR4ektw
Name	(S)-Methyl [2-(1',3'-benzodioxol-5'-yl)-2-nitrocyclohexyl]acetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H19NO6
InChI	InChI=1S/C16H19NO6/c1-21-15(18)9-11-4-2-3-7-16(11,17(19)20)12-5-6-13-14(8-12)23-10-22-13/h5-6,8,11H,2-4,7,9-10H2,1H3/t11?,16-/m0/s1
InChIKey	SHGLLLYEKXQMQU-NBFOKTCDSA-N
Molecular Weight	321.329 g/mol
SMILES	[C@@]1(N(=O)=O)(c2cc3OCOc3cc2)C(CC(=O)OC)CCCC1
SPLASH	splash10-002f-0090000000-baa902342c13e6863346
Source of Spectrum	U1-1999-914-26
Synonyms	Methyl[(2S)-2-(1,3-benzodioxol-5-yl)-2-nitrocyclohexyl]acetate Methyl[2-(1',3'-benzodioxol-5'-yl)-2-nitrocyclohexyl]acetate
Wiley ID	752568