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8-(Methanesulfonyloxy)-1-oxo-1,2,3,4-tetrahydropyrido[3,4-b]indole
SpectraBase Compound ID 30XcZ5OcQRC
InChI InChI=1S/C12H12N2O4S/c1-19(16,17)18-9-4-2-3-7-8-5-6-13-12(15)11(8)14-10(7)9/h2-4,14H,5-6H2,1H3,(H,13,15)
InChIKey OIWDKTODXQKHRY-UHFFFAOYSA-N
Mol Weight 280.3 g/mol
Molecular Formula C12H12N2O4S
Exact Mass 280.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29ibIw5A6jH
Name 8-(Methanesulfonyloxy)-1-oxo-1,2,3,4-tetrahydropyrido[3,4-b]indole
Alternate Name(s) 1-oxo-2,3,4,9-tetrahydro-1H-.beta.-carbolin-8-yl methanesulfonate methanesulfonic acid (1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-8-yl) ester (1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-8-yl) methanesulfonate (1-oxidanylidene-2,3,4,9-tetrahydropyrido[3,4-b]indol-8-yl) methanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N2O4S
InChI InChI=1S/C12H12N2O4S/c1-19(16,17)18-9-4-2-3-7-8-5-6-13-12(15)11(8)14-10(7)9/h2-4,14H,5-6H2,1H3,(H,13,15)
InChIKey OIWDKTODXQKHRY-UHFFFAOYSA-N
Molecular Weight 280.298 g/mol
SMILES [nH]1c2c(cccc2c2c1C(NCC2)=O)OS(=O)(=O)C
SPLASH splash10-0ue9-0090000000-f6ec934f22947709f809
Source of Spectrum PS-54-59-34
Wiley ID 805223