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(1S,5R,6R,7R,8S,1'S)-3-(1'-Phenylethyl)-5-methyl-7,8-epoxy-3-azabicyclo[4.3.0]non-7-en-4-one

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

(1S,5R,6R,7R,8S,1'S)-3-(1'-Phenylethyl)-5-methyl-7,8-epoxy-3-azabicyclo[4.3.0]non-7-en-4-one
SpectraBase Compound ID 1Mfye1gGdTa
InChI InChI=1S/C17H21NO2/c1-10-15-13(8-14-16(15)20-14)9-18(17(10)19)11(2)12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3/t10-,11+,13-,14+,15+,16+/m1/s1
InChIKey HCLUWVKMNOQGTN-MFKRADDTSA-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 D6JzhjcSkJO
Name (1S,5R,6R,7R,8S,1'S)-3-(1'-Phenylethyl)-5-methyl-7,8-epoxy-3-azabicyclo[4.3.0]non-7-en-4-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/c1-10-15-13(8-14-16(15)20-14)9-18(17(10)19)11(2)12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3/t10-,11+,13-,14+,15+,16+/m1/s1
InChIKey HCLUWVKMNOQGTN-MFKRADDTSA-N
Molecular Weight 271.360 g/mol
SMILES C1(N(C[C@]2(C[C@]3([C@]([C@]2([C@]1(C)[H])[H])([H])O3)[H])[H])[C@](C=1C=CC=CC1)(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921079