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[4-(2-Butyl-benzofuran-3-yl)-[3,5-diiodophenyl-4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-methanone.hydrochloride
SpectraBase Compound ID 9EbXKAMxqGQ
InChI InChI=1S/C25H27I2NO3/c1-2-3-9-22-23(18-8-4-5-10-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28-11-6-7-12-28/h4-5,8,10,15-16H,2-3,6-7,9,11-14H2,1H3
InChIKey XPEBKOZMIAAWMV-UHFFFAOYSA-N
Mol Weight 643.3 g/mol
Molecular Formula C25H27I2NO3
Exact Mass 643.008034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mif7ZdbVF1
Name [4-(2-Butyl-benzofuran-3-yl)-[3,5-diiodophenyl-4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-methanone.hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27I2NO3
InChI InChI=1S/C25H27I2NO3/c1-2-3-9-22-23(18-8-4-5-10-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28-11-6-7-12-28/h4-5,8,10,15-16H,2-3,6-7,9,11-14H2,1H3
InChIKey XPEBKOZMIAAWMV-UHFFFAOYSA-N
Molecular Weight 643.304 g/mol
SMILES c1(c(oc2c1cccc2)CCCC)C(c1cc(I)c(c(c1)I)OCCN1CCCC1)=O
SPLASH splash10-000i-1009020000-9f30666d48d60e156df5
Source of Spectrum EMC-42-865-2c
Synonyms [4-(2-Butyl-benzofuran-3-yl)]-[3,5-diiodophenyl-4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-methanone (2-butylbenzofuran-3-yl)(3,5-diiodo-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)methanone (2-butyl-3-benzofuranyl)-[3,5-diiodo-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone (2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone (2-butylbenzofuran-3-yl)-[3,5-diiodo-4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone [3,5-bis(iodanyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-(2-butyl-1-benzofuran-3-yl)methanone
Wiley ID 1735201