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L-Phenylalanine, N-neopentyloxycarbonyl-, decyl ester

View entire compound with spectra: 1 NMR

L-Phenylalanine, N-neopentyloxycarbonyl-, decyl ester
SpectraBase Compound ID EBjsm6AdI90
InChI InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-15-18-29-23(27)22(19-21-16-13-12-14-17-21)26-24(28)30-20-25(2,3)4/h12-14,16-17,22H,5-11,15,18-20H2,1-4H3,(H,26,28)
InChIKey ROEJNLBCGWORGN-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H41NO4
Exact Mass 419.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4avTCFpfT0j
Name L-Phenylalanine, N-neopentyloxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-15-18-29-23(27)22(19-21-16-13-12-14-17-21)26-24(28)30-20-25(2,3)4/h12-14,16-17,22H,5-11,15,18-20H2,1-4H3,(H,26,28)
InChIKey ROEJNLBCGWORGN-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES CC(COC(NC(C(OCCCCCCCCCC)=O)CC1=CC=CC=C1)=O)(C)C