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4-Phenyl-3-thioxo-2,4-diazatricyclo[5.2.1.0(2,6)]dec-8-en-5-one
SpectraBase Compound ID 7SXfYyESW0z
InChI InChI=1S/C14H12N2OS/c17-13-12-9-6-7-11(8-9)15(12)14(18)16(13)10-4-2-1-3-5-10/h1-7,9,11-12H,8H2/t9-,11+,12+/m0/s1
InChIKey CPYHXBLSDLDJBH-MVWJERBFSA-N
Mol Weight 256.32 g/mol
Molecular Formula C14H12N2OS
Exact Mass 256.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzHdhMb1wai
Name 4-Phenyl-3-thioxo-2,4-diazatricyclo[5.2.1.0(2,6)]dec-8-en-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2OS
InChI InChI=1S/C14H12N2OS/c17-13-12-9-6-7-11(8-9)15(12)14(18)16(13)10-4-2-1-3-5-10/h1-7,9,11-12H,8H2/t9-,11+,12+/m0/s1
InChIKey CPYHXBLSDLDJBH-MVWJERBFSA-N
Molecular Weight 256.323 g/mol
SMILES C1(N(C(=O)[C@@]2(N1[C@@]1(C=C[C@]2(C1)[H])[H])[H])c1ccccc1)=S
SPLASH splash10-0aor-8190000000-97ab84c8e0855080e5b1
Source of Spectrum AJ-67-3085-8
Synonyms (1S,6R,7R) 4-Phenyl-3-thioxo-2,4-diazatricyclo[5.2.1.0(2,6)]dec-8-en-5-one
Wiley ID 772865