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1-[3'-(Butoxycarbonylamino)propyl]-13-hydroxy-1-azacyclohexadecan-2-one

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

1-[3'-(Butoxycarbonylamino)propyl]-13-hydroxy-1-azacyclohexadecan-2-one
SpectraBase Compound ID 2QELeLOE9CF
InChI InChI=1S/C23H44N2O4/c1-2-3-20-29-23(28)24-17-13-19-25-18-12-15-21(26)14-10-8-6-4-5-7-9-11-16-22(25)27/h21,26H,2-20H2,1H3,(H,24,28)
InChIKey DLJTUMGMNKIDNV-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C23H44N2O4
Exact Mass 412.330108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9s47sKP8x9x
Name 1-[3'-(Butoxycarbonylamino)propyl]-13-hydroxy-1-azacyclohexadecan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.330107901 u
Formula C23H44N2O4
InChI InChI=1S/C23H44N2O4/c1-2-3-20-29-23(28)24-17-13-19-25-18-12-15-21(26)14-10-8-6-4-5-7-9-11-16-22(25)27/h21,26H,2-20H2,1H3,(H,24,28)
InChIKey DLJTUMGMNKIDNV-UHFFFAOYSA-N
Molecular Weight 412.615 g/mol
SMILES C1(N(CCCC(CCCCCCCCCC1)O)CCCNC(=O)OCCCC)=O