Propanoic acid, 2,2-dimethyl-, 3-hydroxy-2-nitrocyclohexyl ester, [1R-(1.alpha.,2.beta.,3.alpha.)]-

SpectraBase Compound ID	31NqNICfNc0
InChI	InChI=1S/C11H19NO5/c1-11(2,3)10(14)17-8-6-4-5-7(13)9(8)12(15)16/h7-9,13H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey	LBURTHLYGMUPEG-VGMNWLOBSA-N Google Search
Mol Weight	245.27 g/mol
Molecular Formula	C11H19NO5
Exact Mass	245.126323 g/mol

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SpectraBase Spectrum ID	EBbtJgz1j55
Name	Propanoic acid, 2,2-dimethyl-, 3-hydroxy-2-nitrocyclohexyl ester, [1R-(1.alpha.,2.beta.,3.alpha.)]-
Alternate Name(s)	(1R,2R,3S)-3-hydroxy-2-nitrocyclohexyl]-pivalat (1S,2S,3R)-3-hydroxy-2-nitrocyclohexyl pivalate [(1'R,2'R,3'S)-3'-hydroxy-2'-nitrocyclohexyl][2,2-dimethylpropanoate
CAS Registry Number	114454-95-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C11H19NO5
InChI	InChI=1S/C11H19NO5/c1-11(2,3)10(14)17-8-6-4-5-7(13)9(8)12(15)16/h7-9,13H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey	LBURTHLYGMUPEG-VGMNWLOBSA-N
Molecular Weight	245.275 g/mol
SMILES	O[C@]1([C@](N(=O)=O)([C@@](OC(C(C)(C)C)=O)(CCC1)[H])[H])[H]
SPLASH	splash10-0a4i-9000000000-8f753c53a13ff2d203a4
Source of Spectrum	H-71-14-0
Wiley ID	1247830