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1,7-Bis(3-bromo-4,5-methylenedioxybenzyl)-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
SpectraBase Compound ID H5V7xBVhbu9
InChI InChI=1S/C24H21Br2NO5/c25-17-6-13(8-20-23(17)31-11-29-20)5-16-19(28)2-1-15-3-4-27(22(15)16)10-14-7-18(26)24-21(9-14)30-12-32-24/h6-9,15H,1-5,10-12H2
InChIKey MZSWPFTVRLDOJP-UHFFFAOYSA-N
Mol Weight 563.24 g/mol
Molecular Formula C24H21Br2NO5
Exact Mass 560.978649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVX3KxhowZO
Name 1,7-Bis(3-bromo-4,5-methylenedioxybenzyl)-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
CAS Registry Number 68890-35-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21Br2NO5
InChI InChI=1S/C24H21Br2NO5/c25-17-6-13(8-20-23(17)31-11-29-20)5-16-19(28)2-1-15-3-4-27(22(15)16)10-14-7-18(26)24-21(9-14)30-12-32-24/h6-9,15H,1-5,10-12H2
InChIKey MZSWPFTVRLDOJP-UHFFFAOYSA-N
Molecular Weight 563.242 g/mol
SMILES C1(=C2N(Cc3cc4OCOc4c(c3)Br)CCC2CCC1=O)Cc1cc2OCOc2c(c1)Br
SPLASH splash10-03di-0045090000-395d87c19e2b49e14aa5
Source of Spectrum J-44-1079-0
Synonyms 1,7-bis[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
Wiley ID 1406823