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Benzaldehyde, 3,4-methylenedioxy-2-nitro-, thiosemicarbazone
SpectraBase Compound ID GOQCab3CtPI
InChI InChI=1S/C9H8N4O4S/c10-9(18)12-11-3-5-1-7-8(17-4-16-7)2-6(5)13(14)15/h1-3H,4H2,(H3,10,12,18)/b11-3+
InChIKey IOKYPDHGVZKBSG-QDEBKDIKSA-N
Mol Weight 268.25 g/mol
Molecular Formula C9H8N4O4S
Exact Mass 268.026626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eEWMXTR0i
Name Benzaldehyde, 3,4-methylenedioxy-2-nitro-, thiosemicarbazone
Alternate Name(s) 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea 6-Nitro-1,3-benzodioxole-5-carbaldehyde thiosemicarbazone [(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea [(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea
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Formula C9H8N4O4S
InChI InChI=1S/C9H8N4O4S/c10-9(18)12-11-3-5-1-7-8(17-4-16-7)2-6(5)13(14)15/h1-3H,4H2,(H3,10,12,18)/b11-3+
InChIKey IOKYPDHGVZKBSG-QDEBKDIKSA-N
Molecular Weight 268.247 g/mol
SMILES N(C(=S)N)\N=C\c1c(N(=O)=O)cc2OCOc2c1
SPLASH splash10-0iml-9310000000-eb19ab4285d802dc1f2d
Wiley ID 1439302