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(2S)-2-(tert-butoxycarbonylamino)hex-5-enoic acid benzyl ester

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

(2S)-2-(tert-butoxycarbonylamino)hex-5-enoic acid benzyl ester
SpectraBase Compound ID 1VfonMka4gl
InChI InChI=1S/C18H25NO4/c1-5-6-12-15(19-17(21)23-18(2,3)4)16(20)22-13-14-10-8-7-9-11-14/h5,7-11,15H,1,6,12-13H2,2-4H3,(H,19,21)/t15-/m0/s1
InChIKey POLPKBFYDHURKE-HNNXBMFYSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CYaDgMfQGF
Name (2S)-2-(Tert-butoxycarbonylamino)hex-5-enoic acid benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.178358285 u
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-5-6-12-15(19-17(21)23-18(2,3)4)16(20)22-13-14-10-8-7-9-11-14/h5,7-11,15H,1,6,12-13H2,2-4H3,(H,19,21)/t15-/m0/s1
InChIKey POLPKBFYDHURKE-HNNXBMFYSA-N
Molecular Weight 319.401 g/mol
SMILES C(N[C@](C(OCC=1C=CC=CC1)=O)(CCC=C)[H])(OC(C)(C)C)=O