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1-Aza-11-thiatricyclo[7.6.0.0(3,8)]pentadeca-3(8),4,6-trien-2-one
SpectraBase Compound ID 6PhI0wpFzDZ
InChI InChI=1S/C13H13NOS/c15-13-11-6-2-1-5-10(11)12-9-16-8-4-3-7-14(12)13/h1-2,5-6,9H,3-4,7-8H2/b12-9-
InChIKey TVMSTUOAXISENB-XFXZXTDPSA-N
Mol Weight 231.31 g/mol
Molecular Formula C13H13NOS
Exact Mass 231.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4aq3ArxnWt
Name 1-Aza-11-thiatricyclo[7.6.0.0(3,8)]pentadeca-3(8),4,6-trien-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NOS
InChI InChI=1S/C13H13NOS/c15-13-11-6-2-1-5-10(11)12-9-16-8-4-3-7-14(12)13/h1-2,5-6,9H,3-4,7-8H2/b12-9-
InChIKey TVMSTUOAXISENB-XFXZXTDPSA-N
Molecular Weight 231.313 g/mol
SMILES C1(N2\C(c3ccccc13)=C\SCCCC2)=O
SPLASH splash10-001i-0690000000-adf2bb9033b8cda20f7e
Source of Spectrum QB-15-160-21
Synonyms 1-Aza-11-thiatricyclo[7.6.0.0(3,8)]pentadeca-3(8),4,6,9-tetraen-2-one 3,4,5,6-tetrahydro-8H-[1,4]thiazocino[3,4-a]isoindol-8-one
Wiley ID 841260