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L-Isoleucine, N-benzyloxycarbonyl-, benzyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-benzyloxycarbonyl-, benzyl ester
SpectraBase Compound ID GCDw5hOzlSy
InChI InChI=1S/C21H25NO4/c1-3-16(2)19(20(23)25-14-17-10-6-4-7-11-17)22-21(24)26-15-18-12-8-5-9-13-18/h4-13,16,19H,3,14-15H2,1-2H3,(H,22,24)
InChIKey JTGAGJPWOAKGSO-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLGbZVXgele
Name L-Isoleucine, N-benzyloxycarbonyl-, benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.178358285 u
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-3-16(2)19(20(23)25-14-17-10-6-4-7-11-17)22-21(24)26-15-18-12-8-5-9-13-18/h4-13,16,19H,3,14-15H2,1-2H3,(H,22,24)
InChIKey JTGAGJPWOAKGSO-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES C1=CC=C(C=C1)COC(C(NC(OCC1=CC=CC=C1)=O)C(C)CC)=O