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4-[(Benzylamino)-6-(tert-butylimino)-7-(dimethylamino)-2-phenyl-1H,6H-pyrrolo[3,4-c]thiopyran-1,3(2H)-dione
SpectraBase Compound ID E5S6ZfLx5r2
InChI InChI=1S/C26H28N4O2S/c1-26(2,3)28-23-21(29(4)5)19-20(22(33-23)27-16-17-12-8-6-9-13-17)25(32)30(24(19)31)18-14-10-7-11-15-18/h6-15,27H,16H2,1-5H3/b28-23-
InChIKey VOYHTMJUKBPNBC-NFFVHWSESA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H28N4O2S
Exact Mass 460.193297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYBeeYykJJY
Name 4-[(Benzylamino)-6-(tert-butylimino)-7-(dimethylamino)-2-phenyl-1H,6H-pyrrolo[3,4-c]thiopyran-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N4O2S
InChI InChI=1S/C26H28N4O2S/c1-26(2,3)28-23-21(29(4)5)19-20(22(33-23)27-16-17-12-8-6-9-13-17)25(32)30(24(19)31)18-14-10-7-11-15-18/h6-15,27H,16H2,1-5H3/b28-23-
InChIKey VOYHTMJUKBPNBC-NFFVHWSESA-N
Molecular Weight 460.596 g/mol
SMILES N(C1=C2C(C(=O)N(C2=O)c2ccccc2)=C(N(C)C)\C(S1)=N\C(C)(C)C)Cc1ccccc1
SPLASH splash10-0f6x-9001800000-ce325e44aa87f7836603
Source of Spectrum F-51-7033-20
Synonyms (6E)-4-(benzylamino)-7-(dimethylamino)-6-{[(E)-1,1-dimethylethyl]imino}-2-phenylthiino[3,4-c]pyrrole-1,3(2H,6H)-dione
Wiley ID 792386