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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

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9OYBuvHD5F2
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
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.140199128 u
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)C2=CC=CC=C2)([C@](C=2C=CC=CC2)(N2[C@@]1(CSC2C1=CC=CC=C1)[H])[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931026