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Propanedioic acid, [3-(2-iodoethyl)-1H-indol-2-yl]-, dimethyl ester
SpectraBase Compound ID CctuWgadRwB
InChI InChI=1S/C15H16INO4/c1-20-14(18)12(15(19)21-2)13-10(7-8-16)9-5-3-4-6-11(9)17-13/h3-6,12,17H,7-8H2,1-2H3
InChIKey LHGUOGALNQJCLC-UHFFFAOYSA-N
Mol Weight 401.2 g/mol
Molecular Formula C15H16INO4
Exact Mass 401.012403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wTl9fp70rY
Name Propanedioic acid, [3-(2-iodoethyl)-1H-indol-2-yl]-, dimethyl ester
Alternate Name(s) Dimethyl 2-[3-(2-iodoethyl)-1H-indol-2-yl]malonate Dimethyl 2-[3-(2-iodoethyl)1H-indol-2-yl]propanedioate
CAS Registry Number 122419-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16INO4
InChI InChI=1S/C15H16INO4/c1-20-14(18)12(15(19)21-2)13-10(7-8-16)9-5-3-4-6-11(9)17-13/h3-6,12,17H,7-8H2,1-2H3
InChIKey LHGUOGALNQJCLC-UHFFFAOYSA-N
Molecular Weight 401.200 g/mol
SMILES [nH]1c2ccccc2c(c1C(C(=O)OC)C(=O)OC)CCI
SPLASH splash10-0fk9-0590200000-00ff79701cd8d25cf482
Source of Spectrum H-71-2040-18
Wiley ID 1369882