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dl-Valine, N-methyl-N-octyloxycarbonyl-, isobutyl ester
SpectraBase Compound ID 6kxLbevbTVB
InChI InChI=1S/C19H37NO4/c1-7-8-9-10-11-12-13-23-19(22)20(6)17(16(4)5)18(21)24-14-15(2)3/h15-17H,7-14H2,1-6H3
InChIKey JBYAJVOYFQKYEW-UHFFFAOYSA-N
Mol Weight 343.5 g/mol
Molecular Formula C19H37NO4
Exact Mass 343.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgSHnHHKJL7
Name dl-Valine, N-methyl-N-octyloxycarbonyl-, isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.272258671 u
Formula C19H37NO4
InChI InChI=1S/C19H37NO4/c1-7-8-9-10-11-12-13-23-19(22)20(6)17(16(4)5)18(21)24-14-15(2)3/h15-17H,7-14H2,1-6H3
InChIKey JBYAJVOYFQKYEW-UHFFFAOYSA-N
Molecular Weight 343.508 g/mol
SMILES C(C(C(OCC(C)C)=O)N(C)C(=O)OCCCCCCCC)(C)C