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METHYL-4,6-DIHYDROTHIENO-[3.2-D]-[2]-BENZOOXEPIN-4-CARBOXYLATE
SpectraBase Compound ID vurBTFHMAk
InChI InChI=1S/C14H12O3S/c1-16-14(15)12-11-6-7-18-13(11)10-5-3-2-4-9(10)8-17-12/h2-7,12H,8H2,1H3/t12-/m0/s1
InChIKey GYXYTNZVGSEMSR-LBPRGKRZSA-N
Mol Weight 260.31 g/mol
Molecular Formula C14H12O3S
Exact Mass 260.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yeU4eAdsBk
Name METHYL-4,6-DIHYDROTHIENO-[3.2-D]-[2]-BENZOOXEPIN-4-CARBOXYLATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12O3S
InChI InChI=1S/C14H12O3S/c1-16-14(15)12-11-6-7-18-13(11)10-5-3-2-4-9(10)8-17-12/h2-7,12H,8H2,1H3/t12-/m0/s1
InChIKey GYXYTNZVGSEMSR-LBPRGKRZSA-N
Literature Reference Author D.F.O'SHEA,J.T.SHARP
Literature Reference Citation J.CHEM.SOC.PERKIN-1,515(1996)
Literature Reference DOI 10.1039/p19900000515
Molecular Weight 260.307 g/mol
Solvent CDCl3
Source File Reference UWMZ3146