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1,2,3,3a.alpha.,4.beta.,8,8a.alpha.,8b.alpha.-octahydro-2,4,6.alpha.-triphenylpyrrolo[3',4':3,4]pyrrolo[1,2-c]thiazole-1,3-dione
SpectraBase Compound ID DyMxTppOf2h
InChI InChI=1S/C26H22N2O2S/c29-24-21-20-16-31-26(18-12-6-2-7-13-18)28(20)23(17-10-4-1-5-11-17)22(21)25(30)27(24)19-14-8-3-9-15-19/h1-15,20-23,26H,16H2/t20-,21+,22+,23+,26?/m0/s1
InChIKey SXHXKSPGJRCGDP-BFGAPRLISA-N
Mol Weight 426.53 g/mol
Molecular Formula C26H22N2O2S
Exact Mass 426.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bWt3dYD7GS
Name 1,2,3,3a.alpha.,4.beta.,8,8a.alpha.,8b.alpha.-octahydro-2,4,6.alpha.-triphenylpyrrolo[3',4':3,4]pyrrolo[1,2-c]thiazole-1,3-dione
CAS Registry Number 111157-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N2O2S
InChI InChI=1S/C26H22N2O2S/c29-24-21-20-16-31-26(18-12-6-2-7-13-18)28(20)23(17-10-4-1-5-11-17)22(21)25(30)27(24)19-14-8-3-9-15-19/h1-15,20-23,26H,16H2/t20-,21+,22+,23+,26?/m0/s1
InChIKey SXHXKSPGJRCGDP-BFGAPRLISA-N
Molecular Weight 426.534 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)c2ccccc2)([C@@](c2ccccc2)(N2[C@]1(CSC2c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-004l-1706900000-4bced21fac1f3e60718b
Source of Spectrum KC-1988-2699-22
Synonyms (5S,5aR,8aS,8bR)-3,5,7-triphenyltetrahydropyrrolo[3',4':3,4]pyrrolo[1,2-c][1,3]thiazole-6,8(1H,7H)-dione
Wiley ID 1380028