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(2S)-2-t-Butoxycarbonylaminohexadecanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S)-2-t-Butoxycarbonylaminohexadecanoic acid
SpectraBase Compound ID LS28MaphsbJ
InChI InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(23)24)22-20(25)26-21(2,3)4/h18H,5-17H2,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKey IUWRBNUWOCNQKM-SFHVURJKSA-N
Mol Weight 371.6 g/mol
Molecular Formula C21H41NO4
Exact Mass 371.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TXf4JqnPQj
Name (2S)-2-T-Butoxycarbonylaminohexadecanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.303558800 u
Formula C21H41NO4
InChI InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(23)24)22-20(25)26-21(2,3)4/h18H,5-17H2,1-4H3,(H,22,25)(H,23,24)/t18-/m0/s1
InChIKey IUWRBNUWOCNQKM-SFHVURJKSA-N
Molecular Weight 371.562 g/mol
SMILES C(N[C@](C(=O)O)(CCCCCCCCCCCCCC)[H])(OC(C)(C)C)=O