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Tert-butyl (2S,3S)-3-amino-2-benzyl-3-cyclohexylpropanoate

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

Tert-butyl (2S,3S)-3-amino-2-benzyl-3-cyclohexylpropanoate
SpectraBase Compound ID HuIIu7ovVxh
InChI InChI=1S/C20H31NO2/c1-20(2,3)23-19(22)17(14-15-10-6-4-7-11-15)18(21)16-12-8-5-9-13-16/h4,6-7,10-11,16-18H,5,8-9,12-14,21H2,1-3H3/t17-,18-/m0/s1
InChIKey LLEPDTBXLCCTGP-ROUUACIJSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7YI46G6PKiN
Name Tert-butyl (2S,3S)-3-amino-2-benzyl-3-cyclohexylpropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.235479240 u
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-20(2,3)23-19(22)17(14-15-10-6-4-7-11-15)18(21)16-12-8-5-9-13-16/h4,6-7,10-11,16-18H,5,8-9,12-14,21H2,1-3H3/t17-,18-/m0/s1
InChIKey LLEPDTBXLCCTGP-ROUUACIJSA-N
Molecular Weight 317.473 g/mol
SMILES [C@](C(OC(C)(C)C)=O)([C@](C1CCCCC1)(N)[H])(CC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947717