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(CIS-3,3A)-2,3,3A,4-TETRAHYDRO-2-ACETYL-3-STYRYL-[1]-BENZOTHIOPYRANO-[4,3-C]-PYRAZOLE
SpectraBase Compound ID 625nNWCSKEn
InChI InChI=1S/C20H18N2OS/c1-14(23)22-18(12-11-15-7-3-2-4-8-15)17-13-24-19-10-6-5-9-16(19)20(17)21-22/h2-12,17-18H,13H2,1H3/b12-11+/t17-,18+/m1/s1
InChIKey SPZFZZACJPHSQU-HGFSOSMJSA-N
Mol Weight 334.44 g/mol
Molecular Formula C20H18N2OS
Exact Mass 334.113984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cjoCNsbmXt
Name (CIS-3,3A)-2,3,3A,4-TETRAHYDRO-2-ACETYL-3-STYRYL-[1]-BENZOTHIOPYRANO-[4,3-C]-PYRAZOLE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18N2OS
InChI InChI=1S/C20H18N2OS/c1-14(23)22-18(12-11-15-7-3-2-4-8-15)17-13-24-19-10-6-5-9-16(19)20(17)21-22/h2-12,17-18H,13H2,1H3/b12-11+/t17-,18+/m1/s1
InChIKey SPZFZZACJPHSQU-HGFSOSMJSA-N
Literature Reference Author G.TOTH,A.SIMON,A.JENEI,J.JEKO,A.LEVAI
Literature Reference Citation MAGN.RES.CHEM.,46,1025(2008)
Literature Reference DOI 10.1002/mrc.2309
Molecular Weight 334.436 g/mol
Solvent CDCl3
Source File Reference UWBT16530