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di-(T-Butyl) 1,2,3,4-tetrahydro[L]benzothieno[2,3-D]pyridazine-2,3-dicarboxylate
SpectraBase Compound ID 1NXWt9h9FdW
InChI InChI=1S/C20H26N2O4S/c1-19(2,3)25-17(23)21-11-14-13-9-7-8-10-15(13)27-16(14)12-22(21)18(24)26-20(4,5)6/h7-10H,11-12H2,1-6H3
InChIKey WFNXIRHQUMKCNF-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C20H26N2O4S
Exact Mass 390.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbXD7Bx0T5V
Name di-(T-Butyl) 1,2,3,4-tetrahydro[L]benzothieno[2,3-D]pyridazine-2,3-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 390.161328495 u
Formula C20H26N2O4S
InChI InChI=1S/C20H26N2O4S/c1-19(2,3)25-17(23)21-11-14-13-9-7-8-10-15(13)27-16(14)12-22(21)18(24)26-20(4,5)6/h7-10H,11-12H2,1-6H3
InChIKey WFNXIRHQUMKCNF-UHFFFAOYSA-N
Molecular Weight 390.498 g/mol
SMILES C(N1N(CC2=C(C1)C1=CC=CC=C1S2)C(OC(C)(C)C)=O)(OC(C)(C)C)=O