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(2E)-but-2-en-1-yl methyl (4-methoxyphenyl)dithioimidocarbonate
SpectraBase Compound ID 1xChXr1Xsqy
InChI InChI=1S/C13H17NOS2/c1-4-5-10-17-13(16-3)14-11-6-8-12(15-2)9-7-11/h4-9H,10H2,1-3H3/b5-4+,14-13+
InChIKey ZJYPVBSLHWJRLL-NJFWLVBSSA-N
Mol Weight 267.4 g/mol
Molecular Formula C13H17NOS2
Exact Mass 267.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7c5dgv49i4k
Name (2E)-but-2-en-1-yl methyl (4-methoxyphenyl)dithioimidocarbonate
Alternate Name(s) (2E)-2-butenyl methyl 4-methoxyphenyldithioimidocarbonate But-2-en-1-yl Methyl N-(4-methylphenyl)dithiocarbonimidate
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NOS2
InChI InChI=1S/C13H17NOS2/c1-4-5-10-17-13(16-3)14-11-6-8-12(15-2)9-7-11/h4-9H,10H2,1-3H3/b5-4+,14-13+
InChIKey ZJYPVBSLHWJRLL-NJFWLVBSSA-N
Molecular Weight 267.405 g/mol
SMILES c1(\N=C\(SC\C=C\C)SC)ccc(cc1)OC
SPLASH splash10-014i-0910000000-6ec69ac445ee95da133f
Source of Spectrum SO-0-148-4
Wiley ID 1541979