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2-Ethyl-5,6-dihydro-4H-3-thia-6a,11b-diazabenzo[g]cyclopenta[e]azulene-1,7-dione
SpectraBase Compound ID 1M0wzATHiLJ
InChI InChI=1S/C16H16N2O2S/c1-2-13-15(20)18-11-7-4-3-6-10(11)14(19)17-9-5-8-12(17)16(18)21-13/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKey IUZAKIYIQNIGIS-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHMeAtmYdVX
Name 2-Ethyl-5,6-dihydro-4H-3-thia-6a,11b-diazabenzo[g]cyclopenta[e]azulene-1,7-dione
Comments Less than 3 mono-isotopic peaks
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Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-2-13-15(20)18-11-7-4-3-6-10(11)14(19)17-9-5-8-12(17)16(18)21-13/h3-4,6-7,13H,2,5,8-9H2,1H3
InChIKey IUZAKIYIQNIGIS-UHFFFAOYSA-N
Molecular Weight 300.376 g/mol
SMILES C1=2N(c3c(C(N4C2CCC4)=O)cccc3)C(C(S1)CC)=O
SPLASH splash10-0udi-0009000000-4cf32c35362dc04692df
Source of Spectrum O1-63-2856-3
Synonyms 2-ethyl-12,13-dihydro-9H,11H-pyrrolo[2,1-c][1,3]thiazolo[3,2-a][1,4]benzodiazepine-3,9(2H)-dione 2-Ethyl-5,6-dihydroxy-4H-3-thia-6a,11b-diazabenzo[g]cyclopenta[e]azulene-1,7-dione
Wiley ID 1592961