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L-ala-L-nle, N-(Isopropyloxycarbonyl)-, isopropyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-ala-L-nle, N-(Isopropyloxycarbonyl)-, isopropyl ester
SpectraBase Compound ID AU1TShVbxcJ
InChI InChI=1S/C16H30N2O5/c1-7-8-9-13(15(20)22-10(2)3)18-14(19)12(6)17-16(21)23-11(4)5/h10-13H,7-9H2,1-6H3,(H,17,21)(H,18,19)
InChIKey QHFZQQHSZBNCEY-UHFFFAOYSA-N
Mol Weight 330.43 g/mol
Molecular Formula C16H30N2O5
Exact Mass 330.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgExKAdtP5B
Name L-ala-L-nle, N-(Isopropyloxycarbonyl)-, isopropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.215472069 u
Formula C16H30N2O5
InChI InChI=1S/C16H30N2O5/c1-7-8-9-13(15(20)22-10(2)3)18-14(19)12(6)17-16(21)23-11(4)5/h10-13H,7-9H2,1-6H3,(H,17,21)(H,18,19)
InChIKey QHFZQQHSZBNCEY-UHFFFAOYSA-N
Molecular Weight 330.425 g/mol
SMILES C(C(NC(=O)C(C)NC(OC(C)C)=O)C(=O)OC(C)C)CCC