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1-Benzyl-2-iodoindole-3(1H)-carboxylic Acid
SpectraBase Compound ID IQU2PxgfF18
InChI InChI=1S/C16H12INO2/c17-15-14(16(19)20)12-8-4-5-9-13(12)18(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKey XSGXBAWBOYVITF-UHFFFAOYSA-N
Mol Weight 377.18 g/mol
Molecular Formula C16H12INO2
Exact Mass 376.991274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZHQ4vZzJOe
Name 1-Benzyl-2-iodoindole-3(1H)-carboxylic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12INO2
InChI InChI=1S/C16H12INO2/c17-15-14(16(19)20)12-8-4-5-9-13(12)18(15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKey XSGXBAWBOYVITF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201528u
Molecular Weight 377.181 g/mol
SMILES OC(c1c(I)[n](Cc2ccccc2)c2c1cccc2)=O
SPLASH splash10-0006-9004000000-e6664b73c01d26651f43
Source of Spectrum J-76-8352-2b
Synonyms 1-Benzyl-2-iodo-1H-indole-3-carboxylic acid 2-Iodo-1-(phenylmethyl)-3-indolecarboxylic acid 1-Benzyl-2-iodoindole-3-carboxylic acid 2-Iodanyl-1-(phenylmethyl)indole-3-carboxylic acid
Wiley ID 1746876