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3-Butynyl 8-quinolinesulfonate
SpectraBase Compound ID KwBLC5Oz2mJ
InChI InChI=1S/C13H11NO3S/c1-2-3-10-17-18(15,16)12-8-4-6-11-7-5-9-14-13(11)12/h1,4-9H,3,10H2
InChIKey FKZZZSKSVRXSRF-UHFFFAOYSA-N
Mol Weight 261.29 g/mol
Molecular Formula C13H11NO3S
Exact Mass 261.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11wO1C2XvU
Name 3-Butynyl 8-quinolinesulfonate
Alternate Name(s) 8-quinolinesulfonic acid but-3-ynyl ester But-3-ynyl quinoline-8-sulfonate
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Formula C13H11NO3S
InChI InChI=1S/C13H11NO3S/c1-2-3-10-17-18(15,16)12-8-4-6-11-7-5-9-14-13(11)12/h1,4-9H,3,10H2
InChIKey FKZZZSKSVRXSRF-UHFFFAOYSA-N
Molecular Weight 261.295 g/mol
SMILES c1(S(=O)(=O)OCCC#C)c2ncccc2ccc1
SPLASH splash10-004i-0900000000-019356a0b3a486cd8e81
Source of Spectrum H1-46-529-10
Wiley ID 816013