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3,4-Benzo-6,7-diaza-2-sulfoxybicyclo[3.3.0]oct-3,6-diene
SpectraBase Compound ID 9issy5PYhDb
InChI InChI=1S/C9H8N2O2S/c12-14(13)7-4-2-1-3-6(7)9-8(14)5-10-11-9/h1-4,8-9H,5H2
InChIKey QEEINJNRKSBDCI-UHFFFAOYSA-N
Mol Weight 208.23 g/mol
Molecular Formula C9H8N2O2S
Exact Mass 208.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Acd8PyAMCHq
Name 3,4-Benzo-6,7-diaza-2-sulfoxybicyclo[3.3.0]oct-3,6-diene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2S
InChI InChI=1S/C9H8N2O2S/c12-14(13)7-4-2-1-3-6(7)9-8(14)5-10-11-9/h1-4,8-9H,5H2
InChIKey QEEINJNRKSBDCI-UHFFFAOYSA-N
Molecular Weight 208.235 g/mol
SMILES C12S(c3c(C2N=NC1)cccc3)(=O)=O
SPLASH splash10-014i-0900000000-eccbf1769eb53ceddc96
Source of Spectrum QC-4-486-7
Synonyms 3a,8b-dihydro-3H-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide
Wiley ID 883197