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N-[.beta.-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-N-ethoxycarbonyl-3-amino-1-indanone
SpectraBase Compound ID 8zDBWH6OMWU
InChI InChI=1S/C22H24BrNO5/c1-4-29-22(26)24(18-13-19(25)16-8-6-5-7-15(16)18)10-9-14-11-20(27-2)21(28-3)12-17(14)23/h5-8,11-12,18H,4,9-10,13H2,1-3H3
InChIKey HCBNWFXLBOAFQD-UHFFFAOYSA-N
Mol Weight 462.34 g/mol
Molecular Formula C22H24BrNO5
Exact Mass 461.083786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwrSo3orl13
Name N-[.beta.-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-N-ethoxycarbonyl-3-amino-1-indanone
Alternate Name(s) Ethyl 2-(2-bromo-4,5-dimethoxyphenyl)ethyl(3-oxo-2,3-dihydro-1H-inden-1-yl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24BrNO5
InChI InChI=1S/C22H24BrNO5/c1-4-29-22(26)24(18-13-19(25)16-8-6-5-7-15(16)18)10-9-14-11-20(27-2)21(28-3)12-17(14)23/h5-8,11-12,18H,4,9-10,13H2,1-3H3
InChIKey HCBNWFXLBOAFQD-UHFFFAOYSA-N
Molecular Weight 462.340 g/mol
SMILES C1(N(C(=O)OCC)CCc2c(cc(c(c2)OC)OC)Br)CC(=O)c2c1cccc2
SPLASH splash10-0f89-0910000000-0ea6e0e30e4510ac7b74
Source of Spectrum H1-39-586-6
Wiley ID 756760