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L-Methionine, N-neopentyloxycarbonyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-neopentyloxycarbonyl-, tetradecyl ester
SpectraBase Compound ID Ac60ns3DycG
InChI InChI=1S/C25H49NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-29-23(27)22(18-20-31-5)26-24(28)30-21-25(2,3)4/h22H,6-21H2,1-5H3,(H,26,28)
InChIKey DWDFUKKUHOOVDN-UHFFFAOYSA-N
Mol Weight 459.7 g/mol
Molecular Formula C25H49NO4S
Exact Mass 459.33823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EP3bczwCYyR
Name L-Methionine, N-neopentyloxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.338230232 u
Formula C25H49NO4S
InChI InChI=1S/C25H49NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-29-23(27)22(18-20-31-5)26-24(28)30-21-25(2,3)4/h22H,6-21H2,1-5H3,(H,26,28)
InChIKey DWDFUKKUHOOVDN-UHFFFAOYSA-N
Molecular Weight 459.730 g/mol
SMILES CC(COC(NC(C(OCCCCCCCCCCCCCC)=O)CCSC)=O)(C)C