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2-Thioxo-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
SpectraBase Compound ID 2qROm3xdRs7
InChI InChI=1S/C9H8N2O2S/c12-8-5-10-9(14)11-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H2,10,11,14)
InChIKey MTWIURHWJJHYIG-UHFFFAOYSA-N
Mol Weight 208.24 g/mol
Molecular Formula C9H8N2O2S
Exact Mass 208.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hfQt0ToboH
Name 2-Thioxo-1,2,3,4-tetrahydro-5H-6,1,3-benzoxadiazocin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2S
InChI InChI=1S/C9H8N2O2S/c12-8-5-10-9(14)11-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H2,10,11,14)
InChIKey MTWIURHWJJHYIG-UHFFFAOYSA-N
Molecular Weight 208.235 g/mol
SMILES N1c2c(OC(CNC1=S)=O)cccc2
SPLASH splash10-0pb9-9520000000-c3b37d2aacd84cf3a557
Source of Spectrum AD-0-2532-0
Synonyms 2-sulfanylidene-3,4-dihydro-1H-6,1,3-benzoxadiazocin-5-one 2-Thioxo-3,4-dihydro-1H-6,1,3-benzoxadiazocin-5-one Benzocycloocten-9-one, 6-thioxo-5,6,7,8-tetrahydro-10-oxa-5,7-diaza-
Wiley ID 1435773