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1-[(4aR,7aS)-3-(4-nitrophenyl)-6-phenyl-4a,7a-dihydro-2H-thiazolo[4,5-e][1,2,4]triazin-1-yl]ethanone
SpectraBase Compound ID HUaqbuWF8JL
InChI InChI=1S/C18H15N5O3S/c1-11(24)22-18-16(20-17(27-18)13-5-3-2-4-6-13)19-15(21-22)12-7-9-14(10-8-12)23(25)26/h2-10,16,18H,1H3,(H,19,21)/t16-,18+/m1/s1
InChIKey SRGTTWGPERWJKY-AEFFLSMTSA-N
Mol Weight 381.41 g/mol
Molecular Formula C18H15N5O3S
Exact Mass 381.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9EDltRImTm
Name 1-[(4aR,7aS)-3-(4-nitrophenyl)-6-phenyl-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 C18H15N5O3S
InChI InChI=1S/C18H15N5O3S/c1-11(24)22-18-16(20-17(27-18)13-5-3-2-4-6-13)19-15(21-22)12-7-9-14(10-8-12)23(25)26/h2-10,16,18H,1H3,(H,19,21)/t16-,18+/m1/s1
InChIKey SRGTTWGPERWJKY-AEFFLSMTSA-N
Molecular Weight 381.410 g/mol
SMILES N1C(=NN([C@@]2([C@]1(N=C(S2)c1ccccc1)[H])[H])C(=O)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0uei-0977000000-722c6ab3ee66e5407dcd
Source of Spectrum AH-2002-29-3
Synonyms 1-[(4aR,7aS)-3-(4-nitrophenyl)-6-phenyl-4a,7a-dihydro-2H-[1,3]thiazolo[4,5-e][1,2,4]triazin-1-yl]ethanone
Wiley ID 1546536