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(1S,2S,6S,8S,9R,1'S)-4-(1'-Phenylethyl)-2-methyl-8-hydroxy-4-azatricyclo[4.3.0.0(2,9)]nonan-3-one

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

(1S,2S,6S,8S,9R,1'S)-4-(1'-Phenylethyl)-2-methyl-8-hydroxy-4-azatricyclo[4.3.0.0(2,9)]nonan-3-one
SpectraBase Compound ID 9X04nT2LxZb
InChI InChI=1S/C17H21NO2/c1-10(11-6-4-3-5-7-11)18-9-12-8-13(19)15-14(12)17(15,2)16(18)20/h3-7,10,12-15,19H,8-9H2,1-2H3/t10-,12+,13-,14-,15+,17-/m0/s1
InChIKey LRLSVIVVPKTGTC-NMBQJPEOSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CIDXK5XZsDo
Name (1S,2S,6S,8S,9R,1'S)-4-(1'-Phenylethyl)-2-methyl-8-hydroxy-4-azatricyclo[4.3.0.0(2,9)]nonan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.157228918 u
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-10(11-6-4-3-5-7-11)18-9-12-8-13(19)15-14(12)17(15,2)16(18)20/h3-7,10,12-15,19H,8-9H2,1-2H3/t10-,12+,13-,14-,15+,17-/m0/s1
InChIKey LRLSVIVVPKTGTC-NMBQJPEOSA-N
Molecular Weight 271.360 g/mol
SMILES [C@@]12(C(N([C@](C=3C=CC=CC3)(C)[H])C[C@@]3([C@@]1([H])[C@]2([C@](C3)(O)[H])[H])[H])=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920439