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2,3-Dimethyl-9-methylsulfanyl-3,7-dihydro-3H-1,3,4,5,7-pentazacyclopenta[b]naphthalen-8-one
SpectraBase Compound ID 4XeXsJul7gT
InChI InChI=1S/C11H11N5OS/c1-5-14-7-8(18-3)6-9(12-4-13-11(6)17)15-10(7)16(5)2/h4H,1-3H3,(H,12,13,15,17)
InChIKey KWQJFIMSXFLRQO-UHFFFAOYSA-N
Mol Weight 261.3 g/mol
Molecular Formula C11H11N5OS
Exact Mass 261.068431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZUYXIbmI2W
Name 2,3-Dimethyl-9-methylsulfanyl-3,7-dihydro-3H-1,3,4,5,7-pentazacyclopenta[b]naphthalen-8-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N5OS
InChI InChI=1S/C11H11N5OS/c1-5-14-7-8(18-3)6-9(12-4-13-11(6)17)15-10(7)16(5)2/h4H,1-3H3,(H,12,13,15,17)
InChIKey KWQJFIMSXFLRQO-UHFFFAOYSA-N
Molecular Weight 261.303 g/mol
SMILES N1C=Nc2c(C1=O)c(c1c(n2)[n](c(n1)C)C)SC
SPLASH splash10-0006-9130000000-c35a8d3cabaaad560108
Source of Spectrum F4-41-1275-17
Wiley ID 1672021