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3H-Pyrrolo[3',4':3,4]pyrrolo[1,2-c]thiazole-6,8(1H,7H)-dione, tetrahydro-7-methyl-5-(2-phenylethenyl)-, (5.alpha.,5a.alpha.,8a.alpha.,8b.beta.)-
SpectraBase Compound ID AvAYDyzlfsw
InChI InChI=1S/C17H18N2O2S/c1-18-16(20)14-12(8-7-11-5-3-2-4-6-11)19-10-22-9-13(19)15(14)17(18)21/h2-8,12-15H,9-10H2,1H3/b8-7+/t12-,13+,14-,15+/m0/s1
InChIKey XZPPSHADZWQWIG-DHGABANTSA-N
Mol Weight 314.4 g/mol
Molecular Formula C17H18N2O2S
Exact Mass 314.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Khn073GgJjf
Name 3H-Pyrrolo[3',4':3,4]pyrrolo[1,2-c]thiazole-6,8(1H,7H)-dione, tetrahydro-7-methyl-5-(2-phenylethenyl)-, (5.alpha.,5a.alpha.,8a.alpha.,8b.beta.)-
CAS Registry Number 120295-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O2S
InChI InChI=1S/C17H18N2O2S/c1-18-16(20)14-12(8-7-11-5-3-2-4-6-11)19-10-22-9-13(19)15(14)17(18)21/h2-8,12-15H,9-10H2,1H3/b8-7+/t12-,13+,14-,15+/m0/s1
InChIKey XZPPSHADZWQWIG-DHGABANTSA-N
Molecular Weight 314.403 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)([C@]2(CSCN2[C@]1(\C=C\c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-014i-0395000000-537965dd77362d7dd8f8
Source of Spectrum KC-1988-2710-16
Synonyms (5S,5aR,8aS,8bS)-7-methyl-5-[(E)-2-phenylethenyl]tetrahydropyrrolo[3',4':3,4]pyrrolo[1,2-c][1,3]thiazole-6,8(1H,7H)-dione 1,2,3,3a.alpha.4.alpha.,8,8a.beta.,8b..alpha.-octahydro-2-methyl-4-(2-phenylethenyl)pyrrolo[3',4':3,4]pyrrolo[1,2-c]thiazole-1,3-dione
Wiley ID 1314998