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9-Hydroxy-1-aza-11-thiatricyclo[7.6.0.0(3,8)]pentadeca-3(8),4,6-trien-2-one
SpectraBase Compound ID 4DEDOxXg4v9
InChI InChI=1S/C13H15NO2S/c15-12-10-5-1-2-6-11(10)13(16)9-17-8-4-3-7-14(12)13/h1-2,5-6,16H,3-4,7-9H2
InChIKey YYPWRLQIRNPTPF-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C13H15NO2S
Exact Mass 249.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDSUusRzObC
Name 9-Hydroxy-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 C13H15NO2S
InChI InChI=1S/C13H15NO2S/c15-12-10-5-1-2-6-11(10)13(16)9-17-8-4-3-7-14(12)13/h1-2,5-6,16H,3-4,7-9H2
InChIKey YYPWRLQIRNPTPF-UHFFFAOYSA-N
Molecular Weight 249.328 g/mol
SMILES OC12N(C(c3ccccc23)=O)CCCCSC1
SPLASH splash10-0ik9-0970000000-ee116780e23c35d986b0
Source of Spectrum QB-15-160-16
Synonyms 12b-hydroxy-1,3,4,5,6,12b-hexahydro-8H-[1,4]thiazocino[3,4-a]isoindol-8-one
Wiley ID 841261