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3-(2-Bromo-4,5-methylenedioxybenzyl)aminocyclohex-2-en-1-one
SpectraBase Compound ID Eb2rJaBmXxv
InChI InChI=1S/C14H14BrNO3/c15-12-6-14-13(18-8-19-14)4-9(12)7-16-10-2-1-3-11(17)5-10/h4-6,16H,1-3,7-8H2
InChIKey BDBYDINCFARLFV-UHFFFAOYSA-N
Mol Weight 324.17 g/mol
Molecular Formula C14H14BrNO3
Exact Mass 323.015706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy04QcVilS3
Name 3-(2-Bromo-4,5-methylenedioxybenzyl)aminocyclohex-2-en-1-one
CAS Registry Number 68890-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14BrNO3
InChI InChI=1S/C14H14BrNO3/c15-12-6-14-13(18-8-19-14)4-9(12)7-16-10-2-1-3-11(17)5-10/h4-6,16H,1-3,7-8H2
InChIKey BDBYDINCFARLFV-UHFFFAOYSA-N
Molecular Weight 324.174 g/mol
SMILES N(C1=CC(=O)CCC1)Cc1c(cc2c(c1)OCO2)Br
SPLASH splash10-01ox-0190000000-bcee277e5c90996ec5e7
Source of Spectrum J-44-1078-0
Synonyms 3-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]amino}-2-cyclohexen-1-one
Wiley ID 1322306