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3-[N,N-Bis(2-bromo-4,5-methylenedioxybenzyl)amino]cyclohex-2-en-1-one
SpectraBase Compound ID 9V3scsK5QVq
InChI InChI=1S/C22H19Br2NO5/c23-17-7-21-19(27-11-29-21)4-13(17)9-25(15-2-1-3-16(26)6-15)10-14-5-20-22(8-18(14)24)30-12-28-20/h4-8H,1-3,9-12H2
InChIKey HLJSBTPCXMCPGP-UHFFFAOYSA-N
Mol Weight 537.2 g/mol
Molecular Formula C22H19Br2NO5
Exact Mass 534.962999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HprUgZv2xx
Name 3-[N,N-Bis(2-bromo-4,5-methylenedioxybenzyl)amino]cyclohex-2-en-1-one
Alternate Name(s) 3-{bis[(6-bromo-1,3-benzodioxol-5-yl)methyl]amino}-2-cyclohexen-1-one
CAS Registry Number 68890-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19Br2NO5
InChI InChI=1S/C22H19Br2NO5/c23-17-7-21-19(27-11-29-21)4-13(17)9-25(15-2-1-3-16(26)6-15)10-14-5-20-22(8-18(14)24)30-12-28-20/h4-8H,1-3,9-12H2
InChIKey HLJSBTPCXMCPGP-UHFFFAOYSA-N
Molecular Weight 537.204 g/mol
SMILES C1(N(Cc2c(cc3c(c2)OCO3)Br)Cc2c(cc3c(c2)OCO3)Br)=CC(=O)CCC1
SPLASH splash10-03di-0090400000-c57c646622115e007d6b
Source of Spectrum J-44-1078-0
Wiley ID 1403925