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(3aSR,8bRS)-2,3,3a,4,6,8b-Hexahydro-1,8-dimethyl-6-phenyl-2-phenylacetyl-1H-thiopyrano[2,3-c:4,5-c']dipyrazole
SpectraBase Compound ID F0MolYbwxH9
InChI InChI=1S/C23H24N4OS/c1-16-21-22-18(15-29-23(21)27(24-16)19-11-7-4-8-12-19)14-26(25(22)2)20(28)13-17-9-5-3-6-10-17/h3-12,18,22H,13-15H2,1-2H3/t18-,22-/m1/s1
InChIKey PXMYUEFKVDYYOM-XMSQKQJNSA-N
Mol Weight 404.53 g/mol
Molecular Formula C23H24N4OS
Exact Mass 404.167083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoKixMhOKuG
Name (3aSR,8bRS)-2,3,3a,4,6,8b-Hexahydro-1,8-dimethyl-6-phenyl-2-phenylacetyl-1H-thiopyrano[2,3-c:4,5-c']dipyrazole
Alternate Name(s) 1-((3aS,8bR)-1,8-Dimethyl-6-phenyl-3a,4,6,8b-tetrahydro-1H,3H-thiopyrano[2,3-c;4,5-c']dipyrazol-2-yl)-2-phenyl-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N4OS
InChI InChI=1S/C23H24N4OS/c1-16-21-22-18(15-29-23(21)27(24-16)19-11-7-4-8-12-19)14-26(25(22)2)20(28)13-17-9-5-3-6-10-17/h3-12,18,22H,13-15H2,1-2H3/t18-,22-/m1/s1
InChIKey PXMYUEFKVDYYOM-XMSQKQJNSA-N
Molecular Weight 404.532 g/mol
SMILES c12c([n](-c3ccccc3)nc1C)SC[C@@]1([C@]2(N(N(C(Cc2ccccc2)=O)C1)C)[H])[H]
SPLASH splash10-000f-3090000000-5737916cabfab13838b0
Source of Spectrum KC-0-2556-21
Wiley ID 782143