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2H-Quinolizine-2,6(1H)-dione, hexahydro-4-(3-iodo-4-methoxyphenyl)-, cis-(.+-.)-
SpectraBase Compound ID FlG2N3PUg7l
InChI InChI=1S/C16H18INO3/c1-21-15-6-5-10(7-13(15)17)14-9-12(19)8-11-3-2-4-16(20)18(11)14/h5-7,11,14H,2-4,8-9H2,1H3/t11-,14+/m0/s1
InChIKey INNUVAVFMWXINY-SMDDNHRTSA-N
Mol Weight 399.23 g/mol
Molecular Formula C16H18INO3
Exact Mass 399.033138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jR0qem1L43
Name 2H-Quinolizine-2,6(1H)-dione, hexahydro-4-(3-iodo-4-methoxyphenyl)-, cis-(.+-.)-
CAS Registry Number 97974-71-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18INO3
InChI InChI=1S/C16H18INO3/c1-21-15-6-5-10(7-13(15)17)14-9-12(19)8-11-3-2-4-16(20)18(11)14/h5-7,11,14H,2-4,8-9H2,1H3/t11-,14+/m0/s1
InChIKey INNUVAVFMWXINY-SMDDNHRTSA-N
Molecular Weight 399.228 g/mol
SMILES [C@@]1(N2[C@](CC(C1)=O)(CCCC2=O)[H])(c1cc(I)c(cc1)OC)[H]
SPLASH splash10-0002-0329100000-55a67bc1bdec207c1fd9
Source of Spectrum J-52-4670-32
Synonyms (4R,9aS)-4-(3-iodo-4-methoxyphenyl)hexahydro-2H-quinolizine-2,6(1H)-dione cis-(+,-)-hexahydro-4-(3-iodo-4-methoxyphenyl)-2H-quinolizine-2,6-dione
Wiley ID 1368873