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(2S)-2-[[(1S)-1-amylbut-3-enyl]amino]-3-methyl-butyric acid methyl ester

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

(2S)-2-[[(1S)-1-amylbut-3-enyl]amino]-3-methyl-butyric acid methyl ester
SpectraBase Compound ID 147qt0D3apB
InChI InChI=1S/C15H29NO2/c1-6-8-9-11-13(10-7-2)16-14(12(3)4)15(17)18-5/h7,12-14,16H,2,6,8-11H2,1,3-5H3/t13-,14+/m1/s1
InChIKey FIVJDRIYPUEKSI-KGLIPLIRSA-N
Mol Weight 255.4 g/mol
Molecular Formula C15H29NO2
Exact Mass 255.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58O2jCbsTwe
Name (2S)-2-[[(1S)-1-amylbut-3-enyl]amino]-3-methyl-butyric acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.219829176 u
Formula C15H29NO2
InChI InChI=1S/C15H29NO2/c1-6-8-9-11-13(10-7-2)16-14(12(3)4)15(17)18-5/h7,12-14,16H,2,6,8-11H2,1,3-5H3/t13-,14+/m1/s1
InChIKey FIVJDRIYPUEKSI-KGLIPLIRSA-N
Molecular Weight 255.402 g/mol
SMILES [C@@](C(=O)OC)(N[C@](CC=C)(CCCCC)[H])(C(C)C)[H]