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(4S,4'S)-(1-Benzoyl-4-phenyl-1,4-dihydropyridin-3-yl)-(2'-thioxo-4'-tert-butyl-1',3'-thiazolidine-3'-yl)methanone
SpectraBase Compound ID JwkQkmyhgrl
InChI InChI=1S/C26H26N2O2S2/c1-26(2,3)22-17-32-25(31)28(22)24(30)21-16-27(23(29)19-12-8-5-9-13-19)15-14-20(21)18-10-6-4-7-11-18/h4-16,20,22H,17H2,1-3H3/t20?,22-/m1/s1
InChIKey BPUORSZZPIFXHN-LWMIZPGFSA-N
Mol Weight 462.63 g/mol
Molecular Formula C26H26N2O2S2
Exact Mass 462.14357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6T7DhHjnLQR
Name (4S,4'S)-(1-Benzoyl-4-phenyl-1,4-dihydropyridin-3-yl)-(2'-thioxo-4'-tert-butyl-1',3'-thiazolidine-3'-yl)methanone
Alternate Name(s) (4S)-3-[(1-benzoyl-4-phenyl-1,4-dihydro-3-pyridinyl)carbonyl]-4-tert-butyl-1,3-thiazolidine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O2S2
InChI InChI=1S/C26H26N2O2S2/c1-26(2,3)22-17-32-25(31)28(22)24(30)21-16-27(23(29)19-12-8-5-9-13-19)15-14-20(21)18-10-6-4-7-11-18/h4-16,20,22H,17H2,1-3H3/t20?,22-/m1/s1
InChIKey BPUORSZZPIFXHN-LWMIZPGFSA-N
Molecular Weight 462.626 g/mol
SMILES C(N1C(SC[C@@]1(C(C)(C)C)[H])=S)(C1=CN(C(=O)c2ccccc2)C=CC1c1ccccc1)=O
SPLASH splash10-08fr-0960000000-c039874d41c5add0ba64
Source of Spectrum KC-57-8946-12
Wiley ID 1626203