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2-(1-Benzenesulfonyl-5-fluoro-3-iodo-1H-indol-2-ylmethyl)-acrylic acid ethyl ester
SpectraBase Compound ID LYOei7Qlqh7
InChI InChI=1S/C20H17FINO4S/c1-3-27-20(24)13(2)11-18-19(22)16-12-14(21)9-10-17(16)23(18)28(25,26)15-7-5-4-6-8-15/h4-10,12H,2-3,11H2,1H3
InChIKey RFODZXSBKLLFTO-UHFFFAOYSA-N
Mol Weight 513.32 g/mol
Molecular Formula C20H17FINO4S
Exact Mass 512.990702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 104yA5JYh03
Name 2-(1-Benzenesulfonyl-5-fluoro-3-iodo-1H-indol-2-ylmethyl)-acrylic acid ethyl ester
Alternate Name(s) Ethyl 2-((5-fluoro-3-iodo-1-(phenylsulfonyl)-1H-indol-2-yl)methyl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17FINO4S
InChI InChI=1S/C20H17FINO4S/c1-3-27-20(24)13(2)11-18-19(22)16-12-14(21)9-10-17(16)23(18)28(25,26)15-7-5-4-6-8-15/h4-10,12H,2-3,11H2,1H3
InChIKey RFODZXSBKLLFTO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304380
Molecular Weight 513.322 g/mol
SMILES c1(ccc2[n](c(c(c2c1)I)CC(C(=O)OCC)=C)S(c1ccccc1)(=O)=O)F
SPLASH splash10-00fr-0925010000-83ce9622a22f32dc19b3
Source of Spectrum ACI-52-SM-9
Wiley ID 1781648