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L-Methionine, N-neopentyloxycarbonyl-, undecyl ester
SpectraBase Compound ID DhbgH0QBCz1
InChI InChI=1S/C22H43NO4S/c1-6-7-8-9-10-11-12-13-14-16-26-20(24)19(15-17-28-5)23-21(25)27-18-22(2,3)4/h19H,6-18H2,1-5H3,(H,23,25)
InChIKey JMOXSYSBRIILSH-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C22H43NO4S
Exact Mass 417.29128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yOUY4j17KF
Name L-Methionine, N-neopentyloxycarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.291280039 u
Formula C22H43NO4S
InChI InChI=1S/C22H43NO4S/c1-6-7-8-9-10-11-12-13-14-16-26-20(24)19(15-17-28-5)23-21(25)27-18-22(2,3)4/h19H,6-18H2,1-5H3,(H,23,25)
InChIKey JMOXSYSBRIILSH-UHFFFAOYSA-N
Molecular Weight 417.649 g/mol
SMILES CC(COC(NC(C(OCCCCCCCCCCC)=O)CCSC)=O)(C)C