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7a,8,9,10,11,11a-hexahydro-7-iodo-5-methyldibenz[b,e]azocin-6,12(5H,7H)-dione
SpectraBase Compound ID INPyXnXN1Yh
InChI InChI=1S/C16H18INO2/c1-18-13-9-5-4-8-12(13)15(19)11-7-3-2-6-10(11)14(17)16(18)20/h4-5,8-11,14H,2-3,6-7H2,1H3
InChIKey CWFLMCABNAKANR-UHFFFAOYSA-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 B0djzhPw7yy
Name 7a,8,9,10,11,11a-hexahydro-7-iodo-5-methyldibenz[b,e]azocin-6,12(5H,7H)-dione
CAS Registry Number 128111-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18INO2
InChI InChI=1S/C16H18INO2/c1-18-13-9-5-4-8-12(13)15(19)11-7-3-2-6-10(11)14(17)16(18)20/h4-5,8-11,14H,2-3,6-7H2,1H3
InChIKey CWFLMCABNAKANR-UHFFFAOYSA-N
Molecular Weight 383.229 g/mol
SMILES C1(N(c2c(C(C3CCCCC3C1I)=O)cccc2)C)=O
SPLASH splash10-001i-0879000000-05939f3ab890e9256e4a
Source of Spectrum J-55-4942-19
Synonyms 7-iodo-5-methyl-7a,8,9,10,11,11a-hexahydrodibenzo[b,e]azocine-6,12(5H,7H)-dione
Wiley ID 1360976