For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,2,3,3A.alpha.,4.alpha.,8,8A.beta.,8B.alpha.-Octahydro-2,4,6.alpha.-triphenylpyrrolo[3',4':3,4]pyrrolo[1,2-C]thiazole-1,3-dione
SpectraBase Compound ID DSBz1XXEJrn
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?/m1/s1
InChIKey SXHXKSPGJRCGDP-ACLRMMIJSA-N
Mol Weight 426.53 g/mol
Molecular Formula C26H22N2O2S
Exact Mass 426.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2S3AktInpNr
Name 1,2,3,3a.alpha.,4.alpha.,8,8a.beta.,8b.alpha.-octahydro-2,4,6.alpha.-triphenylpyrrolo[3',4':3,4]pyrrolo[1,2-c]thiazole-1,3-dione
CAS Registry Number 111265-46-4
Copyright Copyright © 2020-2025 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?/m1/s1
InChIKey SXHXKSPGJRCGDP-ACLRMMIJSA-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 splash10-00ou-2835900000-45805f0f39485276c621
Source of Spectrum KC-1988-2699-23
Synonyms (5R,5aR,8aS,8bS)-3,5,7-triphenyltetrahydropyrrolo[3',4':3,4]pyrrolo[1,2-c][1,3]thiazole-6,8(1H,7H)-dione
Wiley ID 1380029