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1-[(4aR,7aS)-3,6-diphenyl-4a,7a-dihydro-2H-thiazolo[4,5-e][1,2,4]triazin-1-yl]ethanone
SpectraBase Compound ID E4vogP3LBUt
InChI InChI=1S/C18H16N4OS/c1-12(23)22-18-16(19-15(21-22)13-8-4-2-5-9-13)20-17(24-18)14-10-6-3-7-11-14/h2-11,16,18H,1H3,(H,19,21)/t16-,18+/m1/s1
InChIKey CRBUBDIFYMCGSA-AEFFLSMTSA-N
Mol Weight 336.41 g/mol
Molecular Formula C18H16N4OS
Exact Mass 336.104482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0v3AqAt1qP
Name 1-[(4aR,7aS)-3,6-diphenyl-4a,7a-dihydro-2H-thiazolo[4,5-e][1,2,4]triazin-1-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4OS
InChI InChI=1S/C18H16N4OS/c1-12(23)22-18-16(19-15(21-22)13-8-4-2-5-9-13)20-17(24-18)14-10-6-3-7-11-14/h2-11,16,18H,1H3,(H,19,21)/t16-,18+/m1/s1
InChIKey CRBUBDIFYMCGSA-AEFFLSMTSA-N
Molecular Weight 336.413 g/mol
SMILES N1C(=NN([C@@]2([C@]1(N=C(S2)c1ccccc1)[H])[H])C(=O)C)c1ccccc1
SPLASH splash10-0zmr-0903000000-75b61d82a06e0a7ba6a7
Source of Spectrum AH-2002-29-3
Synonyms 1-[(4aR,7aS)-3,6-diphenyl-4a,7a-dihydro-2H-[1,3]thiazolo[4,5-e][1,2,4]triazin-1-yl]ethanone
Wiley ID 1546538