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(7 S / R)-7-Chloro-1-[( 6'-iodo-1',3'-benzodioxol-5'-yl)methyl]octahydro-1H-indole
SpectraBase Compound ID 5rfqr3JuXWL
InChI InChI=1S/C16H19ClINO2/c17-12-3-1-2-10-4-5-19(16(10)12)8-11-6-14-15(7-13(11)18)21-9-20-14/h6-7,10,12,16H,1-5,8-9H2
InChIKey BEPZFAUUVHMOIF-UHFFFAOYSA-N
Mol Weight 419.69 g/mol
Molecular Formula C16H19ClINO2
Exact Mass 419.014902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oPFXuigh80
Name (7 S / R)-7-Chloro-1-[( 6'-iodo-1',3'-benzodioxol-5'-yl)methyl]octahydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19ClINO2
InChI InChI=1S/C16H19ClINO2/c17-12-3-1-2-10-4-5-19(16(10)12)8-11-6-14-15(7-13(11)18)21-9-20-14/h6-7,10,12,16H,1-5,8-9H2
InChIKey BEPZFAUUVHMOIF-UHFFFAOYSA-N
Molecular Weight 419.690 g/mol
SMILES C(N1C2C(CCCC2Cl)CC1)c1c(cc2c(c1)OCO2)I
SPLASH splash10-03di-0292100000-4204a242c620b066a046
Source of Spectrum U1-1999-1930-16
Synonyms 7-Chloro-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]octahydro-1H-indole
Wiley ID 753066