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(6-METHYL-11-OXA-5-THIA-2-AZA-TRICYCLO-[5.3.1.0]-UNDECAN-8-YLIDENE-MALONO-NITRILE
SpectraBase Compound ID H6loyA2X9h7
InChI InChI=1S/C12H13N3OS/c1-12-11-9(8(6-13)7-14)2-3-10(16-11)15(12)4-5-17-12/h10-11H,2-5H2,1H3/t10-,11+,12?/m0/s1
InChIKey NJDAWYRHZVYPKT-WIKAKEFZSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YrAHsc34Dj
Name (6-METHYL-11-OXA-5-THIA-2-AZA-TRICYCLO-[5.3.1.0]-UNDECAN-8-YLIDENE-MALONO-NITRILE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N3OS
InChI InChI=1S/C12H13N3OS/c1-12-11-9(8(6-13)7-14)2-3-10(16-11)15(12)4-5-17-12/h10-11H,2-5H2,1H3/t10-,11+,12?/m0/s1
InChIKey NJDAWYRHZVYPKT-WIKAKEFZSA-N
Literature Reference Author M.KOTERA,K.ISHII,M.HIRAGA,M.SAKAMOTO
Literature Reference Citation HETEROCYCLES,51,2147(1999)
Literature Reference DOI 10.3987/COM-99-8570
Molecular Weight 247.315 g/mol
Solvent CDCl3
Source File Reference UWSW654