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(rel-10b-.beta.H)-N,N-Diethyl-1,2,3,10b-tetrahydro-1.beta.-methyl-3-phenyl-2-thioxopyrazolo[5,1-a]isoquinoline-1-thiocarboxamide
SpectraBase Compound ID 3KDGumWRUy7
InChI InChI=1S/C23H25N3S2/c1-4-24(5-2)21(27)23(3)20-19-14-10-9-11-17(19)15-16-25(20)26(22(23)28)18-12-7-6-8-13-18/h6-16,20H,4-5H2,1-3H3/t20-,23-/m1/s1
InChIKey ZZVDDBWKYLPMFN-NFBKMPQASA-N
Mol Weight 407.59 g/mol
Molecular Formula C23H25N3S2
Exact Mass 407.14899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKml2ARuQI7
Name (rel-10b-.beta.H)-N,N-Diethyl-1,2,3,10b-tetrahydro-1.beta.-methyl-3-phenyl-2-thioxopyrazolo[5,1-a]isoquinoline-1-thiocarboxamide
Alternate Name(s) (1R,10bR)-N,N-diethyl-1-methyl-3-phenyl-2-thioxo-1,2,3,10b-tetrahydropyrazolo[5,1-a]isoquinoline-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3S2
InChI InChI=1S/C23H25N3S2/c1-4-24(5-2)21(27)23(3)20-19-14-10-9-11-17(19)15-16-25(20)26(22(23)28)18-12-7-6-8-13-18/h6-16,20H,4-5H2,1-3H3/t20-,23-/m1/s1
InChIKey ZZVDDBWKYLPMFN-NFBKMPQASA-N
Molecular Weight 407.594 g/mol
SMILES [C@@]1(C(N(c2ccccc2)N2[C@@]1(c1c(C=C2)cccc1)[H])=S)(C(=S)N(CC)CC)C
SPLASH splash10-004i-1960000000-4e63e352e190e36f5502
Source of Spectrum F-54-9856-4
Wiley ID 808397