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4H-Quinolizin-4-one, 1,2,3,6,9,9a-hexahydro-6-(3-iodo-4-methoxyphenyl)-, cis-(.+-.)-
SpectraBase Compound ID IdhfXIOVIeg
InChI InChI=1S/C16H18INO2/c1-20-15-9-8-11(10-13(15)17)14-6-2-4-12-5-3-7-16(19)18(12)14/h2,6,8-10,12,14H,3-5,7H2,1H3/t12-,14-/m0/s1
InChIKey BQXSDYFYDBSFPH-JSGCOSHPSA-N
Mol Weight 383.23 g/mol
Molecular Formula C16H18INO2
Exact Mass 383.038224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT974RAN0cJ
Name 4H-Quinolizin-4-one, 1,2,3,6,9,9a-hexahydro-6-(3-iodo-4-methoxyphenyl)-, cis-(.+-.)-
CAS Registry Number 97974-70-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18INO2
InChI InChI=1S/C16H18INO2/c1-20-15-9-8-11(10-13(15)17)14-6-2-4-12-5-3-7-16(19)18(12)14/h2,6,8-10,12,14H,3-5,7H2,1H3/t12-,14-/m0/s1
InChIKey BQXSDYFYDBSFPH-JSGCOSHPSA-N
Molecular Weight 383.229 g/mol
SMILES [C@]1(N2[C@@](CC=C1)(CCCC2=O)[H])(c1cc(I)c(cc1)OC)[H]
SPLASH splash10-001i-0009000000-59130bd146a3b6d5a21c
Source of Spectrum J-52-4670-31
Synonyms (6S,9aR)-6-(3-iodo-4-methoxyphenyl)-1,2,3,6,9,9a-hexahydro-4H-quinolizin-4-one cis-(+,-)-1,2,3,6,9,9a-hexahydro-6-(3-iodo-4-methoxyphenyl)-4H-quinolizin-4-one
Wiley ID 1360975