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2-(Allylthio)-1-nitrobutane
SpectraBase Compound ID 5wQzZciricg
InChI InChI=1S/C7H13NO2S/c1-3-5-11-7(4-2)6-8(9)10/h3,7H,1,4-6H2,2H3
InChIKey JXJUKXDICNKZSI-UHFFFAOYSA-N
Mol Weight 175.25 g/mol
Molecular Formula C7H13NO2S
Exact Mass 175.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdMqWqmvZf4
Name 2-(Allylthio)-1-nitrobutane
CAS Registry Number 128869-24-9
Comments Less than 3 mono-isotopic peaks
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Formula C7H13NO2S
InChI InChI=1S/C7H13NO2S/c1-3-5-11-7(4-2)6-8(9)10/h3,7H,1,4-6H2,2H3
InChIKey JXJUKXDICNKZSI-UHFFFAOYSA-N
Molecular Weight 175.246 g/mol
SMILES C(N(=O)=O)C(SCC=C)CC
SPLASH splash10-004i-0900000000-6266b7dc6b8908c81f65
Source of Spectrum J-55-5507-7
Synonyms 3-{[1-(nitromethyl)propyl]sulfanyl}-1-propene allyl 1-(nitromethyl)propyl sulfide
Wiley ID 1171290