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methyl N-[(1S)-1-phenylethyl]carbamate

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

methyl N-[(1S)-1-phenylethyl]carbamate
SpectraBase Compound ID Ad4RyD11RXV
InChI InChI=1S/C10H13NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)/t8-/m0/s1
InChIKey TZZODVDYZTUJLN-QMMMGPOBSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LmWhgiJZILN
Name Methyl N-[(1S)-1-phenylethyl]carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 179.094628661 u
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)/t8-/m0/s1
InChIKey TZZODVDYZTUJLN-QMMMGPOBSA-N
Molecular Weight 179.219 g/mol
SMILES C(N[C@](C=1C=CC=CC1)(C)[H])(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823