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N-[(1S)-1-phenyl-5-phenylmethoxypentyl]carbamic acid tert-butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-[(1S)-1-phenyl-5-phenylmethoxypentyl]carbamic acid tert-butyl ester
SpectraBase Compound ID HSZtpWKWjoR
InChI InChI=1S/C23H31NO3/c1-23(2,3)27-22(25)24-21(20-14-8-5-9-15-20)16-10-11-17-26-18-19-12-6-4-7-13-19/h4-9,12-15,21H,10-11,16-18H2,1-3H3,(H,24,25)/t21-/m0/s1
InChIKey PWBNMAFDGNZINY-NRFANRHFSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xNz6S718HS
Name N-[(1S)-1-Phenyl-5-phenylmethoxypentyl]carbamic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.230393859 u
Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-23(2,3)27-22(25)24-21(20-14-8-5-9-15-20)16-10-11-17-26-18-19-12-6-4-7-13-19/h4-9,12-15,21H,10-11,16-18H2,1-3H3,(H,24,25)/t21-/m0/s1
InChIKey PWBNMAFDGNZINY-NRFANRHFSA-N
Molecular Weight 369.505 g/mol
SMILES C(N[C@](C1=CC=CC=C1)(CCCCOCC=1C=CC=CC1)[H])(OC(C)(C)C)=O