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L-Methionine, N-neopentyloxycarbonyl-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-neopentyloxycarbonyl-, hexadecyl ester
SpectraBase Compound ID 6XF4o5arvO1
InChI InChI=1S/C27H53NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-25(29)24(20-22-33-5)28-26(30)32-23-27(2,3)4/h24H,6-23H2,1-5H3,(H,28,30)
InChIKey MXUXAICPHDBZGL-UHFFFAOYSA-N
Mol Weight 487.8 g/mol
Molecular Formula C27H53NO4S
Exact Mass 487.36953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8E8GPnIfR3H
Name L-Methionine, N-neopentyloxycarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.369530361 u
Formula C27H53NO4S
InChI InChI=1S/C27H53NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-25(29)24(20-22-33-5)28-26(30)32-23-27(2,3)4/h24H,6-23H2,1-5H3,(H,28,30)
InChIKey MXUXAICPHDBZGL-UHFFFAOYSA-N
Molecular Weight 487.784 g/mol
SMILES CC(COC(NC(C(OCCCCCCCCCCCCCCCC)=O)CCSC)=O)(C)C