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2-(1-Benzenesulfonyl-3-iodo-1H-pyrrolo[2,3-b]pyridine-2-ylmethyl)-acrylic acid ethyl ester
SpectraBase Compound ID ARKeQ7w9llz
InChI InChI=1S/C19H17IN2O4S/c1-3-26-19(23)13(2)12-16-17(20)15-10-7-11-21-18(15)22(16)27(24,25)14-8-5-4-6-9-14/h4-11H,2-3,12H2,1H3
InChIKey DIAHFILYIRPBLH-UHFFFAOYSA-N
Mol Weight 496.32 g/mol
Molecular Formula C19H17IN2O4S
Exact Mass 495.995373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWbjqAwiA7I
Name 2-(1-Benzenesulfonyl-3-iodo-1H-pyrrolo[2,3-b]pyridine-2-ylmethyl)-acrylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17IN2O4S
InChI InChI=1S/C19H17IN2O4S/c1-3-26-19(23)13(2)12-16-17(20)15-10-7-11-21-18(15)22(16)27(24,25)14-8-5-4-6-9-14/h4-11H,2-3,12H2,1H3
InChIKey DIAHFILYIRPBLH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304380
Molecular Weight 496.319 g/mol
SMILES c1cnc2[n](c(c(c2c1)I)CC(C(=O)OCC)=C)S(c1ccccc1)(=O)=O
SPLASH splash10-0a4i-0958000000-55044aa65e11d0d20589
Source of Spectrum ACI-52-SM-15a
Synonyms Ethyl 2-((3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl)acrylate
Wiley ID 1781626