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N-{(E)-[4-(3-thietanyloxy)phenyl]methylidene}-1,3-benzodioxol-5-amine

View entire compound with spectra: 2 NMR

N-{(E)-[4-(3-thietanyloxy)phenyl]methylidene}-1,3-benzodioxol-5-amine
SpectraBase Compound ID 6Dmox2QAGtf
InChI InChI=1S/C17H15NO3S/c1-4-14(21-15-9-22-10-15)5-2-12(1)8-18-13-3-6-16-17(7-13)20-11-19-16/h1-8,15H,9-11H2/b18-8+
InChIKey XWCBDWLVAHPKSH-QGMBQPNBSA-N
Mol Weight 313.37 g/mol
Molecular Formula C17H15NO3S
Exact Mass 313.077265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNY8kiKzy7i
Name N-{(E)-[4-(3-Thietanyloxy)phenyl]methylidene}-1,3-benzodioxol-5-amine
Comments Computed using HOSE algorithm
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Exact Mass 313.077264518 u
Formula C17H15NO3S
InChI InChI=1S/C17H15NO3S/c1-4-14(21-15-9-22-10-15)5-2-12(1)8-18-13-3-6-16-17(7-13)20-11-19-16/h1-8,15H,9-11H2/b18-8+
InChIKey XWCBDWLVAHPKSH-QGMBQPNBSA-N
Molecular Weight 313.371 g/mol
SMILES C12=CC(\N=C\C3=CC=C(OC4CSC4)C=C3)=CC=C1OCO2