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

*Links on SpectraBase are not permalinks.
(2S)-N-Naphthyl-3-bromo-2-methyl-2-benzoyloxy-propionic acid amide
SpectraBase Compound ID AidFvUobT9E
InChI InChI=1S/C21H18BrNO3/c1-21(14-22,26-19(24)16-9-3-2-4-10-16)20(25)23-18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,14H2,1H3,(H,23,25)/t21-/m1/s1
InChIKey VAISIHSPFASLSJ-OAQYLSRUSA-N
Mol Weight 412.28 g/mol
Molecular Formula C21H18BrNO3
Exact Mass 411.047006 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 K3yz6dMOUVb
Name (2S)-N-Naphthyl-3-bromo-2-methyl-2-benzoyloxy-propionic acid amide
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.047006441 u
Formula C21H18BrNO3
InChI InChI=1S/C21H18BrNO3/c1-21(14-22,26-19(24)16-9-3-2-4-10-16)20(25)23-18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,14H2,1H3,(H,23,25)/t21-/m1/s1
InChIKey VAISIHSPFASLSJ-OAQYLSRUSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405888
Molecular Weight 412.283 g/mol
Quality 99
Reported Formula C21H18O3NBr
SMILES N(C1=CC=CC2=C1C=CC=C2)C([C@@](OC(C1=CC=CC=C1)=O)(C)CBr)=O
SPLASH splash10-001j-4940000000-a71800d713c616873912
Source of Spectrum QE-21-SM23-7c (DOI: 10.1002/chem.201405888)
Thin-Layer Chromatography 0.48 (pentane/DCM, 3:1)
Wiley ID 1907045