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1-Aza-11-thiatricyclo[7.5.0.0(3,8)]tetradeca-3(8),4,6,9-tetraen-2-one
SpectraBase Compound ID CeSVRrZaJQk
InChI InChI=1S/C12H11NOS/c14-12-10-5-2-1-4-9(10)11-8-15-7-3-6-13(11)12/h1-2,4-5,8H,3,6-7H2
InChIKey ZMLVAQCUSPBYOJ-UHFFFAOYSA-N
Mol Weight 217.29 g/mol
Molecular Formula C12H11NOS
Exact Mass 217.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lFTORWzIAi
Name 1-Aza-11-thiatricyclo[7.5.0.0(3,8)]tetradeca-3(8),4,6,9-tetraen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NOS
InChI InChI=1S/C12H11NOS/c14-12-10-5-2-1-4-9(10)11-8-15-7-3-6-13(11)12/h1-2,4-5,8H,3,6-7H2
InChIKey ZMLVAQCUSPBYOJ-UHFFFAOYSA-N
Molecular Weight 217.286 g/mol
SMILES C1(N2C(c3ccccc13)=CSCCC2)=O
SPLASH splash10-014i-0190000000-c163068e0bc046c7836b
Source of Spectrum QB-15-159-19
Synonyms 1-Aza-11-thiatricyclo[7.5.0.0(3,8)]tetradeca-3(8),4,6-trien-2-one 4,5-Dihydro-3H,7H-[1,4]thiazepino[3,4-a]isoindol-7-one
Wiley ID 841266