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2-Aminocaprylic acid, N-benzyloxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

2-Aminocaprylic acid, N-benzyloxycarbonyl-, hexyl ester
SpectraBase Compound ID 45JwRuleByx
InChI InChI=1S/C22H35NO4/c1-3-5-7-12-16-20(21(24)26-17-13-8-6-4-2)23-22(25)27-18-19-14-10-9-11-15-19/h9-11,14-15,20H,3-8,12-13,16-18H2,1-2H3,(H,23,25)
InChIKey NFDIDVYLRPYDDQ-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9k3PcjxYULb
Name 2-Aminocaprylic acid, N-benzyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-3-5-7-12-16-20(21(24)26-17-13-8-6-4-2)23-22(25)27-18-19-14-10-9-11-15-19/h9-11,14-15,20H,3-8,12-13,16-18H2,1-2H3,(H,23,25)
InChIKey NFDIDVYLRPYDDQ-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES C1=CC=CC(=C1)COC(NC(C(OCCCCCC)=O)CCCCCC)=O