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(1S,3R,4R)-2-[(S)-1-Phenylethylamino]-2-azabicyclo[2.2.1]hepane-3(R)-methylmethanol

View entire compound with spectra: 1 FTIR

(1S,3R,4R)-2-[(S)-1-Phenylethylamino]-2-azabicyclo[2.2.1]hepane-3(R)-methylmethanol
SpectraBase Compound ID 3Z9uJjm2NTw
InChI InChI=1S/C16H23NO/c1-11(13-6-4-3-5-7-13)17-15-9-8-14(10-15)16(17)12(2)18/h3-7,11-12,14-16,18H,8-10H2,1-2H3/t11-,12+,14+,15-,16-/m0/s1
InChIKey FBRRWSHHWSFNLT-RIMJYPKNSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C8rJCtLHNpe
Name (1S,3R,4R)-2-[(S)-1-Phenylethylamino]-2-azabicyclo[2.2.1]hepane-3(R)-methylmethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.177964364 u
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-11(13-6-4-3-5-7-13)17-15-9-8-14(10-15)16(17)12(2)18/h3-7,11-12,14-16,18H,8-10H2,1-2H3/t11-,12+,14+,15-,16-/m0/s1
InChIKey FBRRWSHHWSFNLT-RIMJYPKNSA-N
Molecular Weight 245.366 g/mol
SMILES [C@@]12(N([C@]([C@@](C2)(CC1)[H])([C@](O)(C)[H])[H])[C@](C1=CC=CC=C1)(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806283