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L-Leucine, N-(4-methylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(4-methylbenzoyl)-, dodecyl ester
SpectraBase Compound ID 7OH4N50mETs
InChI InChI=1S/C26H43NO3/c1-5-6-7-8-9-10-11-12-13-14-19-30-26(29)24(20-21(2)3)27-25(28)23-17-15-22(4)16-18-23/h15-18,21,24H,5-14,19-20H2,1-4H3,(H,27,28)
InChIKey XMRVAIJFHUHTPV-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C26H43NO3
Exact Mass 417.324294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83UjWrbeApn
Name L-Leucine, N-(4-methylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.324294246 u
Formula C26H43NO3
InChI InChI=1S/C26H43NO3/c1-5-6-7-8-9-10-11-12-13-14-19-30-26(29)24(20-21(2)3)27-25(28)23-17-15-22(4)16-18-23/h15-18,21,24H,5-14,19-20H2,1-4H3,(H,27,28)
InChIKey XMRVAIJFHUHTPV-UHFFFAOYSA-N
Molecular Weight 417.634 g/mol
SMILES C1=C(C=CC(=C1)C(NC(C(OCCCCCCCCCCCC)=O)CC(C)C)=O)C