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N-Benzyl-N-[(S)-1'-hydroxy-3'-methylbutan-2'-yl]-but-3-enamide

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

N-Benzyl-N-[(S)-1'-hydroxy-3'-methylbutan-2'-yl]-but-3-enamide
SpectraBase Compound ID A2BCbG6vLjK
InChI InChI=1S/C16H23NO2/c1-4-8-16(19)17(15(12-18)13(2)3)11-14-9-6-5-7-10-14/h4-7,9-10,13,15,18H,1,8,11-12H2,2-3H3/t15-/m1/s1
InChIKey YHZYDUDVYREEHO-OAHLLOKOSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Pd8K2gM1f2
Name N-Benzyl-N-[(S)-1'-hydroxy-3'-methylbutan-2'-yl]-but-3-enamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.172878983 u
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-4-8-16(19)17(15(12-18)13(2)3)11-14-9-6-5-7-10-14/h4-7,9-10,13,15,18H,1,8,11-12H2,2-3H3/t15-/m1/s1
InChIKey YHZYDUDVYREEHO-OAHLLOKOSA-N
Molecular Weight 261.365 g/mol
SMILES C(N([C@@](C(C)C)(CO)[H])CC=1C=CC=CC1)(=O)CC=C