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(3S,7aR)-3-(2-Nitrophenyl)-6-phenyl-5-thioxotetrahydroimidazo[1,5-c]thiazol-7(3H)-one
SpectraBase Compound ID LDFIbwDqyPb
InChI InChI=1S/C17H13N3O3S2/c21-15-14-10-25-16(12-8-4-5-9-13(12)20(22)23)19(14)17(24)18(15)11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-,16-/m0/s1
InChIKey VIUPBBUZBVBKLQ-HOCLYGCPSA-N
Mol Weight 371.43 g/mol
Molecular Formula C17H13N3O3S2
Exact Mass 371.039834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DcKbZtJ8bA
Name (3S,7aR)-3-(2-Nitrophenyl)-6-phenyl-5-thioxotetrahydroimidazo[1,5-c]thiazol-7(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N3O3S2
InChI InChI=1S/C17H13N3O3S2/c21-15-14-10-25-16(12-8-4-5-9-13(12)20(22)23)19(14)17(24)18(15)11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-,16-/m0/s1
InChIKey VIUPBBUZBVBKLQ-HOCLYGCPSA-N
Instrument Name Shimadzu GCMS-QP1000EX
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.861
Molecular Weight 371.429 g/mol
SMILES C1(N2[C@](C(N1c1ccccc1)=O)(CS[C@]2(c1ccccc1[N+]([O-])=O)[H])[H])=S
SPLASH splash10-08fr-9522000000-ba0c88c21aa7191a51fe
Source of Spectrum ARK-2016-117-12i
Wiley ID 1845699