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2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide

View entire compound with spectra: 2 NMR

2-(1,3-benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide
SpectraBase Compound ID 2DUMCFSlDsr
InChI InChI=1S/C13H17N3O3S/c1-8(2)6-14-13(20)16-15-12(17)9-3-4-10-11(5-9)19-7-18-10/h3-5,8H,6-7H2,1-2H3,(H,15,17)(H2,14,16,20)
InChIKey YKKJNWFLSHFTMC-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C13H17N3O3S
Exact Mass 295.099063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IE8MePeSUF
Name 2-(1,3-Benzodioxol-5-ylcarbonyl)-N-isobutylhydrazinecarbothioamide
Comments Computed using HOSE algorithm
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Exact Mass 295.099062590 u
Formula C13H17N3O3S
InChI InChI=1S/C13H17N3O3S/c1-8(2)6-14-13(20)16-15-12(17)9-3-4-10-11(5-9)19-7-18-10/h3-5,8H,6-7H2,1-2H3,(H,15,17)(H2,14,16,20)
InChIKey YKKJNWFLSHFTMC-UHFFFAOYSA-N
Molecular Weight 295.357 g/mol
SMILES N(NC(C=1C=C2OCOC2=CC1)=O)C(=S)NCC(C)C