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(1'S,2S)-2-[(Ethoxycarbonyl)amino]-4-methylpentanoic acid 1-vinylpent-4-enyl ester

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(1'S,2S)-2-[(Ethoxycarbonyl)amino]-4-methylpentanoic acid 1-vinylpent-4-enyl ester
SpectraBase Compound ID 6vcUhlRrOrr
InChI InChI=1S/C17H29NO4/c1-7-14(10-9-12(3)4)22-16(19)15(11-13(5)6)18-17(20)21-8-2/h7,13-15H,1,3,8-11H2,2,4-6H3,(H,18,20)/t14-,15+/m1/s1
InChIKey RXYGCBWRXNCVTD-CABCVRRESA-N
Mol Weight 311.42 g/mol
Molecular Formula C17H29NO4
Exact Mass 311.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDfTnoMSGsx
Name (1'S,2S)-2-[(Ethoxycarbonyl)amino]-4-methylpentanoic acid 1-vinylpent-4-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.209658414 u
Formula C17H29NO4
InChI InChI=1S/C17H29NO4/c1-7-14(10-9-12(3)4)22-16(19)15(11-13(5)6)18-17(20)21-8-2/h7,13-15H,1,3,8-11H2,2,4-6H3,(H,18,20)/t14-,15+/m1/s1
InChIKey RXYGCBWRXNCVTD-CABCVRRESA-N
SMILES C([C@@](NC(=O)OCC)(CC(C)C)[H])(O[C@](C=C)(CCC(=C)C)[H])=O