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5-n-hexyl-5-hydroxyl-4-iodo-1-phenyl-pyrrol-2(5H)-one
SpectraBase Compound ID G7kNuvDs5NU
InChI InChI=1S/C16H20INO2/c1-2-3-4-8-11-16(20)14(17)12-15(19)18(16)13-9-6-5-7-10-13/h5-7,9-10,12,20H,2-4,8,11H2,1H3
InChIKey BKRWZAOXBXDAQW-UHFFFAOYSA-N
Mol Weight 385.25 g/mol
Molecular Formula C16H20INO2
Exact Mass 385.053874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzFQQe2hMIU
Name 5-n-hexyl-5-hydroxyl-4-iodo-1-phenyl-pyrrol-2(5H)-one
Alternate Name(s) 5-Hexyl-5-hydroxy-4-iodo-1-phenyl-1H-pyrrol-2(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20INO2
InChI InChI=1S/C16H20INO2/c1-2-3-4-8-11-16(20)14(17)12-15(19)18(16)13-9-6-5-7-10-13/h5-7,9-10,12,20H,2-4,8,11H2,1H3
InChIKey BKRWZAOXBXDAQW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol400208f
Molecular Weight 385.245 g/mol
SMILES OC1(C(=CC(N1c1ccccc1)=O)I)CCCCCC
SPLASH splash10-0udi-3009000000-6d6e6279ba7acde60f09
Source of Spectrum A1-15-1382/SMS13-3i
Wiley ID 1748389