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Methyl (1S,3R,5R,6R)-6-bromo-3-(t-butyl)-6-[(hydroxy(3,4,5-trimethoxyphenyl)methyl]-2-oxa-4-azabicyclo[3.1.0]hexane-4-carboxylate

View entire compound with spectra: 3 MS (GC)

Methyl (1S,3R,5R,6R)-6-bromo-3-(t-butyl)-6-[(hydroxy(3,4,5-trimethoxyphenyl)methyl]-2-oxa-4-azabicyclo[3.1.0]hexane-4-carboxylate
SpectraBase Compound ID dVppNx0p2w
InChI InChI=1S/C20H28BrNO7/c1-19(2,3)17-22(18(24)28-7)14-16(29-17)20(14,21)15(23)10-8-11(25-4)13(27-6)12(9-10)26-5/h8-9,14-17,23H,1-7H3
InChIKey KTTHTBUYUKSKFS-UHFFFAOYSA-N
Mol Weight 474.35 g/mol
Molecular Formula C20H28BrNO7
Exact Mass 473.104915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dvk6F3iCD96
Name Methyl (1S,3R,5R,6R)-6-bromo-3-(t-butyl)-6-[(hydroxy(3,4,5-trimethoxyphenyl)methyl]-2-oxa-4-azabicyclo[3.1.0]hexane-4-carboxylate
CAS Registry Number 122877-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28BrNO7
InChI InChI=1S/C20H28BrNO7/c1-19(2,3)17-22(18(24)28-7)14-16(29-17)20(14,21)15(23)10-8-11(25-4)13(27-6)12(9-10)26-5/h8-9,14-17,23H,1-7H3
InChIKey KTTHTBUYUKSKFS-UHFFFAOYSA-N
Molecular Weight 474.348 g/mol
SMILES OC(C1(C2OC(C(C)(C)C)N(C(=O)OC)C12)Br)c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-0f9i-2910000000-be83c7be95d758f8291c
Synonyms 2-Oxa-4-azabicyclo[3.1.0]hexane-4-carboxylic acid, 6-bromo-3-(1,1-dimethylethyl) 2-Oxa-4-azabicyclo[3.1.0]hexane-4-carboxylic acid, 6-bromo-3-(1,1-dimethylethyl)-6-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-, methyl ester, [1S-[1.alpha.,3.alpha Methyl 6-bromo-3-tert-butyl-6-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-2-oxa-4-azabicyclo[3.1.0]hexane-4-carboxylate
Wiley ID 1485286