(S)-2-[(S)-1-(4-Bromophenyl)-2-nitroethyl]-2-nitrocyclohexanone

SpectraBase Compound ID	I6iH8j37Yig
InChI	InChI=1S/C14H15BrN2O5/c15-11-6-4-10(5-7-11)12(9-16(19)20)14(17(21)22)8-2-1-3-13(14)18/h4-7,12H,1-3,8-9H2/t12-,14+/m1/s1
InChIKey	AOYUFCHAEFXKHD-OCCSQVGLSA-N Google Search
Mol Weight	371.19 g/mol
Molecular Formula	C14H15BrN2O5
Exact Mass	370.016435 g/mol

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SpectraBase Spectrum ID	65NRtn9wCBo
Name	(S)-2-[(S)-1-(4-Bromophenyl)-2-nitroethyl]-2-nitrocyclohexanone
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H15BrN2O5
InChI	InChI=1S/C14H15BrN2O5/c15-11-6-4-10(5-7-11)12(9-16(19)20)14(17(21)22)8-2-1-3-13(14)18/h4-7,12H,1-3,8-9H2/t12-,14+/m1/s1
InChIKey	AOYUFCHAEFXKHD-OCCSQVGLSA-N
Literature Reference DOI	10.1021/ol302005f
Molecular Weight	371.187 g/mol
SMILES	c1c(ccc(c1)[C@]([C@]1(CCCCC1=O)[N+](=O)[O-])(C[N+](=O)[O-])[H])Br
SPLASH	splash10-05r0-5911000000-6c110f007c38d589e132
Source of Spectrum	A1-14-4518/SMS16-7f
Synonyms	(S)-2-((S)-1-(4-bromophenyl)-2-nitroethyl)-2-nitrocyclohexanone
Wiley ID	1750586