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1,2,3,3a,4,5-Hexahydro-1-(2-iodo-4,5-dimethoxyphenethyl)-6H-indol-6-one
SpectraBase Compound ID G5BCG5wx2uY
InChI InChI=1S/C18H22INO3/c1-22-17-9-13(15(19)11-18(17)23-2)6-8-20-7-5-12-3-4-14(21)10-16(12)20/h9-12H,3-8H2,1-2H3
InChIKey IAOGHMDOOJYAHL-UHFFFAOYSA-N
Mol Weight 427.28 g/mol
Molecular Formula C18H22INO3
Exact Mass 427.064439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqTezOpzDny
Name 1,2,3,3a,4,5-Hexahydro-1-(2-iodo-4,5-dimethoxyphenethyl)-6H-indol-6-one
Alternate Name(s) 1-[2-(2-iodo-4,5-dimethoxyphenyl)ethyl]-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
CAS Registry Number 64705-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22INO3
InChI InChI=1S/C18H22INO3/c1-22-17-9-13(15(19)11-18(17)23-2)6-8-20-7-5-12-3-4-14(21)10-16(12)20/h9-12H,3-8H2,1-2H3
InChIKey IAOGHMDOOJYAHL-UHFFFAOYSA-N
Molecular Weight 427.282 g/mol
SMILES C1=2N(CCc3c(cc(c(c3)OC)OC)I)CCC1CCC(C2)=O
SPLASH splash10-0udi-0916000000-06857255f48189e3caa7
Source of Spectrum J-43-978-0
Wiley ID 1380331