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(E)-3-[(2'-Hydroxyethyl)thio]-4-nitro-2-hexene
SpectraBase Compound ID JEsqu7L6zeL
InChI InChI=1S/C8H15NO3S/c1-3-7(9(11)12)8(4-2)13-6-5-10/h4,7,10H,3,5-6H2,1-2H3/b8-4+
InChIKey DIGTVYRSRXPTHV-XBXARRHUSA-N
Mol Weight 205.27 g/mol
Molecular Formula C8H15NO3S
Exact Mass 205.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83R8pEOVOIN
Name (E)-3-[(2'-Hydroxyethyl)thio]-4-nitro-2-hexene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO3S
InChI InChI=1S/C8H15NO3S/c1-3-7(9(11)12)8(4-2)13-6-5-10/h4,7,10H,3,5-6H2,1-2H3/b8-4+
InChIKey DIGTVYRSRXPTHV-XBXARRHUSA-N
Molecular Weight 205.272 g/mol
SMILES OCCS\C(C(N(=O)=O)CC)=C/C
SPLASH splash10-0059-9100000000-587b821ccdf0a890fce2
Source of Spectrum J-59-1057-10
Synonyms 2-{[(1E)-1-(1-nitropropyl)-1-propenyl]sulfanyl}ethanol
Wiley ID 1203206