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3,5'-Dimethyl-6-nitro-8-methoxy-spiro(2H-benzo(b)pyran-2:2'-1',3'-benzodithiolane)
SpectraBase Compound ID C9rH2J0wlCb
InChI InChI=1S/C18H15NO4S2/c1-10-4-5-15-16(6-10)25-18(24-15)11(2)7-12-8-13(19(20)21)9-14(22-3)17(12)23-18/h4-9H,1-3H3
InChIKey NRHSCYUEESVFLB-UHFFFAOYSA-N
Mol Weight 373.44 g/mol
Molecular Formula C18H15NO4S2
Exact Mass 373.04425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqAAw2VcKmG
Name 3,5'-Dimethyl-6-nitro-8-methoxy-spiro(2H-benzo(B)pyran-2:2'-1',3'-benzodithiolane)
Comments Computed using HOSE algorithm
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Exact Mass 373.044250311 u
Formula C18H15NO4S2
InChI InChI=1S/C18H15NO4S2/c1-10-4-5-15-16(6-10)25-18(24-15)11(2)7-12-8-13(19(20)21)9-14(22-3)17(12)23-18/h4-9H,1-3H3
InChIKey NRHSCYUEESVFLB-UHFFFAOYSA-N
Molecular Weight 373.441 g/mol
SMILES C1=C(C=C2C(=C1OC)OC1(C(=C2)C)SC2=CC=C(C=C2S1)C)N(=O)=O