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L-Phenylalanine, N-isobutoxycarbonyl-, heptyl ester
SpectraBase Compound ID FMciB1OakTQ
InChI InChI=1S/C21H33NO4/c1-4-5-6-7-11-14-25-20(23)19(15-18-12-9-8-10-13-18)22-21(24)26-16-17(2)3/h8-10,12-13,17,19H,4-7,11,14-16H2,1-3H3,(H,22,24)
InChIKey NKZDLBNIHOPDQH-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 7h1xVlu2qQz
Name L-Phenylalanine, N-isobutoxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.240958543 u
Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-4-5-6-7-11-14-25-20(23)19(15-18-12-9-8-10-13-18)22-21(24)26-16-17(2)3/h8-10,12-13,17,19H,4-7,11,14-16H2,1-3H3,(H,22,24)
InChIKey NKZDLBNIHOPDQH-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES CC(C)COC(NC(C(OCCCCCCC)=O)CC1=CC=CC=C1)=O