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Propyl 1-phenyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonate
SpectraBase Compound ID 1v1Kr6qzFoa
InChI InChI=1S/C16H16N2O3S/c1-2-11-21-22(19,20)15-12-18(13-7-4-3-5-8-13)16-14(15)9-6-10-17-16/h3-10,12H,2,11H2,1H3
InChIKey QEFXGKZYXDVFKG-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVNXoHvbiqg
Name Propyl 1-phenyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonate
Appearance White solid
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Exact Mass 316.088163554 u
Formula C16H16N2O3S
InChI InChI=1S/C16H16N2O3S/c1-2-11-21-22(19,20)15-12-18(13-7-4-3-5-8-13)16-14(15)9-6-10-17-16/h3-10,12H,2,11H2,1H3
InChIKey QEFXGKZYXDVFKG-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 316.375 g/mol
Quality 123
Reported Formula C16H16N2O3S
SMILES C1(S(OCCC)(=O)=O)=CN(C2=C1C=CC=N2)C1=CC=CC=C1
SPLASH splash10-00di-2592000000-030b7498b890aed94a89
Source of Spectrum ACI-56-SM30-3k (DOI: 10.1002/anie.201612565)
Wiley ID 1895549