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3-[3-(2-Bromo-4,5-methylenedioxyphenyl)propylamino]-5,5-dimethylcyclohex-2-en-1-one
SpectraBase Compound ID 8wCZeR03zlG
InChI InChI=1S/C18H22BrNO3/c1-18(2)9-13(7-14(21)10-18)20-5-3-4-12-6-16-17(8-15(12)19)23-11-22-16/h6-8,20H,3-5,9-11H2,1-2H3
InChIKey WQQBCMSJQYTNRM-UHFFFAOYSA-N
Mol Weight 380.28 g/mol
Molecular Formula C18H22BrNO3
Exact Mass 379.078307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRfsTuSDSok
Name 3-[3-(2-Bromo-4,5-methylenedioxyphenyl)propylamino]-5,5-dimethylcyclohex-2-en-1-one
Alternate Name(s) 3-{[3-(6-bromo-1,3-benzodioxol-5-yl)propyl]amino}-5,5-dimethyl-2-cyclohexen-1-one
CAS Registry Number 71382-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22BrNO3
InChI InChI=1S/C18H22BrNO3/c1-18(2)9-13(7-14(21)10-18)20-5-3-4-12-6-16-17(8-15(12)19)23-11-22-16/h6-8,20H,3-5,9-11H2,1-2H3
InChIKey WQQBCMSJQYTNRM-UHFFFAOYSA-N
Molecular Weight 380.282 g/mol
SMILES N(C1=CC(=O)CC(C)(C)C1)CCCc1c(cc2c(c1)OCO2)Br
SPLASH splash10-0udi-0928000000-3d486088cc0a37a025d6
Source of Spectrum J-44-3986-0
Wiley ID 1359211