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Phenylmethyl N-[(3R)-3'-phenylhex-5'-enyl] -N-(phenylmethyl)-carbamate
SpectraBase Compound ID BRCmS4UevNy
InChI InChI=1S/C27H29NO2/c1-2-12-25(26-17-10-5-11-18-26)19-20-28(21-23-13-6-3-7-14-23)27(29)30-22-24-15-8-4-9-16-24/h2-11,13-18,25H,1,12,19-22H2/t25-/m1/s1
InChIKey LAZRCWJSRJUUHS-RUZDIDTESA-N
Mol Weight 399.53 g/mol
Molecular Formula C27H29NO2
Exact Mass 399.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQ1FtOekUe6
Name Phenylmethyl N-[(3R)-3'-phenylhex-5'-enyl] -N-(phenylmethyl)-carbamate
Comments Computed using HOSE algorithm
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Exact Mass 399.219829176 u
Formula C27H29NO2
InChI InChI=1S/C27H29NO2/c1-2-12-25(26-17-10-5-11-18-26)19-20-28(21-23-13-6-3-7-14-23)27(29)30-22-24-15-8-4-9-16-24/h2-11,13-18,25H,1,12,19-22H2/t25-/m1/s1
InChIKey LAZRCWJSRJUUHS-RUZDIDTESA-N
Molecular Weight 399.534 g/mol
SMILES C(N(CC=1C=CC=CC1)CC[C@](C1=CC=CC=C1)(CC=C)[H])(OCC=1C=CC=CC1)=O