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Ethyl (2E,4S)-4-[(benzyloxy)carbonylamino]-2-bromo-5-methylhex-2-enoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Ethyl (2E,4S)-4-[(benzyloxy)carbonylamino]-2-bromo-5-methylhex-2-enoate
SpectraBase Compound ID 6wEd6SHKLhM
InChI InChI=1S/C17H22BrNO4/c1-4-22-16(20)14(18)10-15(12(2)3)19-17(21)23-11-13-8-6-5-7-9-13/h5-10,12,15H,4,11H2,1-3H3,(H,19,21)/b14-10+/t15-/m1/s1
InChIKey IRROBGKCWCMZFA-YVGNARHYSA-N
Mol Weight 384.27 g/mol
Molecular Formula C17H22BrNO4
Exact Mass 383.073221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HelmDOWYodl
Name Ethyl (2E,4S)-4-[(benzyloxy)carbonylamino]-2-bromo-5-methylhex-2-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.073221188 u
Formula C17H22BrNO4
InChI InChI=1S/C17H22BrNO4/c1-4-22-16(20)14(18)10-15(12(2)3)19-17(21)23-11-13-8-6-5-7-9-13/h5-10,12,15H,4,11H2,1-3H3,(H,19,21)/b14-10+/t15-/m1/s1
InChIKey IRROBGKCWCMZFA-YVGNARHYSA-N
Molecular Weight 384.270 g/mol
SMILES C(\C(=C/[C@](C(C)C)(NC(=O)OCC=1C=CC=CC1)[H])Br)(=O)OCC