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1-Benzyl-3-iodo-indole-2(1H)-carboxylic acid
SpectraBase Compound ID 1TkqnVxdHou
InChI InChI=1S/C16H12INO2/c17-14-12-8-4-5-9-13(12)18(15(14)16(19)20)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKey IHIVVFMAOSUJFC-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 9hUqgIWbdiq
Name 1-Benzyl-3-iodo-indole-2(1H)-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12INO2
InChI InChI=1S/C16H12INO2/c17-14-12-8-4-5-9-13(12)18(15(14)16(19)20)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)
InChIKey IHIVVFMAOSUJFC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201528u
Molecular Weight 377.181 g/mol
SMILES OC(c1[n](Cc2ccccc2)c2c(cccc2)c1I)=O
SPLASH splash10-0006-9002000000-e600527578a5882bb77f
Source of Spectrum J-76-8352-2a
Synonyms 1-Benzyl-3-iodo-1H-indole-2-carboxylic acid 3-Iodo-1-(phenylmethyl)-2-indolecarboxylic acid 1-Benzyl-3-iodoindole-2-carboxylic acid 3-Iodanyl-1-(phenylmethyl)indole-2-carboxylic acid
Wiley ID 1746875