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(TRANS-3,3A)-(TRANS-3A,4)-2,3,3A,4-TETRAHYDRO-2-ACETYL-4-PHENYL-3-STYRYL-[1]-BENZOTHIOPYRANO-[4,3-C]-PYRAZOLE
SpectraBase Compound ID y5LRa2j7G2
InChI InChI=1S/C26H22N2OS/c1-18(29)28-22(17-16-19-10-4-2-5-11-19)24-25(27-28)21-14-8-9-15-23(21)30-26(24)20-12-6-3-7-13-20/h2-17,22,24,26H,1H3/b17-16+/t22-,24-,26+/m1/s1
InChIKey OJEQWQFYSLMANQ-HNQVSCMQSA-N
Mol Weight 410.54 g/mol
Molecular Formula C26H22N2OS
Exact Mass 410.145285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xLxCiPOuaM
Name (TRANS-3,3A)-(TRANS-3A,4)-2,3,3A,4-TETRAHYDRO-2-ACETYL-4-PHENYL-3-STYRYL-[1]-BENZOTHIOPYRANO-[4,3-C]-PYRAZOLE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H22N2OS
InChI InChI=1S/C26H22N2OS/c1-18(29)28-22(17-16-19-10-4-2-5-11-19)24-25(27-28)21-14-8-9-15-23(21)30-26(24)20-12-6-3-7-13-20/h2-17,22,24,26H,1H3/b17-16+/t22-,24-,26+/m1/s1
InChIKey OJEQWQFYSLMANQ-HNQVSCMQSA-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 410.533 g/mol
Solvent CDCl3
Source File Reference UWBT16535