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L-Isoleucine, N-benzyloxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-benzyloxycarbonyl-, heptyl ester
SpectraBase Compound ID 6I1gRNBL6ZH
InChI InChI=1S/C21H33NO4/c1-4-6-7-8-12-15-25-20(23)19(17(3)5-2)22-21(24)26-16-18-13-10-9-11-14-18/h9-11,13-14,17,19H,4-8,12,15-16H2,1-3H3,(H,22,24)
InChIKey PABFITJPNABYMR-UHFFFAOYSA-N
Mol Weight 363.5 g/mol
Molecular Formula C21H33NO4
Exact Mass 363.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wtXXb5y5U9
Name L-Isoleucine, N-benzyloxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.240958543 u
Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-4-6-7-8-12-15-25-20(23)19(17(3)5-2)22-21(24)26-16-18-13-10-9-11-14-18/h9-11,13-14,17,19H,4-8,12,15-16H2,1-3H3,(H,22,24)
InChIKey PABFITJPNABYMR-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES C(NC(OCC1=CC=CC=C1)=O)(C(OCCCCCCC)=O)C(C)CC