For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl (1S,3R,5R,6S)-6-bromo-3-(t-butyl)-6-[(hydroxy(phenyl)methyl]-2-oxa-4-azabicyclo[3.1.0]hexane-4-carboxylate
SpectraBase Compound ID 8jbcdcShUaB
InChI InChI=1S/C17H22BrNO4/c1-16(2,3)14-19(15(21)22-4)11-13(23-14)17(11,18)12(20)10-8-6-5-7-9-10/h5-9,11-14,20H,1-4H3/t11?,12?,13-,14-,17?/m0/s1
InChIKey JZUWXDLWMCQRCP-OEQALTSJSA-N
Mol Weight 384.27 g/mol
Molecular Formula C17H22BrNO4
Exact Mass 383.073221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LIGXMNxy7GA
Name Methyl (1S,3R,5R,6S)-6-bromo-3-(t-butyl)-6-[(hydroxy(phenyl)methyl]-2-oxa-4-azabicyclo[3.1.0]hexane-4-carboxylate
CAS Registry Number 122877-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22BrNO4
InChI InChI=1S/C17H22BrNO4/c1-16(2,3)14-19(15(21)22-4)11-13(23-14)17(11,18)12(20)10-8-6-5-7-9-10/h5-9,11-14,20H,1-4H3/t11?,12?,13-,14-,17?/m0/s1
InChIKey JZUWXDLWMCQRCP-OEQALTSJSA-N
Molecular Weight 384.270 g/mol
SMILES OC(C1(C2N(C(=O)OC)[C@@](O[C@]12[H])(C(C)(C)C)[H])Br)c1ccccc1
SPLASH splash10-05mo-7940000000-7b9487271445d4e683c8
Source of Spectrum K-122-2383-12
Synonyms Methyl (1S,3S)-6-bromo-3-tert-butyl-6-[hydroxy(phenyl)methyl]-2-oxa-4-azabicyclo[3.1.0]hexane-4-carboxylate
Wiley ID 1360997