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9-(Methylthio)-8H-acenaphtho[1,2-c]pyrrole-7-carboxylic Acid
SpectraBase Compound ID D3CY1ENvcsQ
InChI InChI=1S/C16H11NO2S/c1-20-15-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14(17-15)16(18)19/h2-7,17H,1H3,(H,18,19)
InChIKey FBHIDICESMEAFZ-UHFFFAOYSA-N
Mol Weight 281.33 g/mol
Molecular Formula C16H11NO2S
Exact Mass 281.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hC9CIb5ViH
Name 9-(Methylthio)-8H-acenaphtho[1,2-c]pyrrole-7-carboxylic Acid
Alternate Name(s) 9-(methylthio)-8H-acenaphthyleno[1,2-c]pyrrole-7-carboxylic acid 9-methylsulfanyl-8H-acenaphthyleno[1,2-c]pyrrole-7-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C16H11NO2S
InChI InChI=1S/C16H11NO2S/c1-20-15-13-10-7-3-5-8-4-2-6-9(11(8)10)12(13)14(17-15)16(18)19/h2-7,17H,1H3,(H,18,19)
InChIKey FBHIDICESMEAFZ-UHFFFAOYSA-N
Molecular Weight 281.329 g/mol
SMILES [nH]1c(c-2c(c1C(=O)O)-c1cccc3cccc2c13)SC
SPLASH splash10-001i-0090000000-f38ddfa95d94faae4d13
Source of Spectrum H-2005-2053-30
Wiley ID 1562727