(1S)-2-methyl-1-[(2R,3R)-3-nitro-3-(p-tolylsulfanyl)oxiran-2-yl]propan-1-ol

SpectraBase Compound ID	JxJEWdgKzs
InChI	InChI=1S/C13H17NO4S/c1-8(2)11(15)12-13(18-12,14(16)17)19-10-6-4-9(3)5-7-10/h4-8,11-12,15H,1-3H3/t11-,12+,13+/m0/s1
InChIKey	GIAMWOFWXAADSF-YNEHKIRRSA-N Google Search
Mol Weight	283.34 g/mol
Molecular Formula	C13H17NO4S
Exact Mass	283.087829 g/mol

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SpectraBase Spectrum ID	KqGeq6HWiZr
Name	(1S)-2-methyl-1-[(2R,3R)-3-nitro-3-(p-tolylsulfanyl)oxiran-2-yl]propan-1-ol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H17NO4S
InChI	InChI=1S/C13H17NO4S/c1-8(2)11(15)12-13(18-12,14(16)17)19-10-6-4-9(3)5-7-10/h4-8,11-12,15H,1-3H3/t11-,12+,13+/m0/s1
InChIKey	GIAMWOFWXAADSF-YNEHKIRRSA-N
Molecular Weight	283.342 g/mol
SMILES	O[C@]([C@@]1([C@](O1)(N(=O)=O)Sc1ccc(cc1)C)[H])(C(C)C)[H]
SPLASH	splash10-00di-0900000000-2dd71d0b00d95f370991
Source of Spectrum	KC-0-943-11
Synonyms	(1S)-2-methyl-1-[(2R,3R)-3-nitro-3-(p-tolylthio)oxiran-2-yl]propan-1-ol (1S)-2-methyl-1-[(2R,3R)-3-[(4-methylphenyl)thio]-3-nitro-2-oxiranyl]-1-propanol (1S)-2-methyl-1-[(2R,3R)-3-(4-methylphenyl)sulfanyl-3-nitrooxiran-2-yl]propan-1-ol
Wiley ID	827646