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(+)-(2R,5S,7S)-7-(2-methylprop-2-enyl)-7-ethoxycarbonyl-2-phenyl-1-aza-3-oxabicyclo[3.3.0]octan-8-one

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

(+)-(2R,5S,7S)-7-(2-methylprop-2-enyl)-7-ethoxycarbonyl-2-phenyl-1-aza-3-oxabicyclo[3.3.0]octan-8-one
SpectraBase Compound ID CO4GKhBZt7Q
InChI InChI=1S/C19H23NO4/c1-4-23-18(22)19(10-13(2)3)11-15-12-24-16(20(15)17(19)21)14-8-6-5-7-9-14/h5-9,15-16H,2,4,10-12H2,1,3H3/t15-,16+,19-/m0/s1
InChIKey ZPLUWFKNPIXOJX-FCEWJHQRSA-N
Mol Weight 329.4 g/mol
Molecular Formula C19H23NO4
Exact Mass 329.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GlXB6aodryT
Name (+)-(2R,5S,7S)-7-(2-methylprop-2-enyl)-7-ethoxycarbonyl-2-phenyl-1-aza-3-oxabicyclo[3.3.0]octan-8-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.162708221 u
Formula C19H23NO4
InChI InChI=1S/C19H23NO4/c1-4-23-18(22)19(10-13(2)3)11-15-12-24-16(20(15)17(19)21)14-8-6-5-7-9-14/h5-9,15-16H,2,4,10-12H2,1,3H3/t15-,16+,19-/m0/s1
InChIKey ZPLUWFKNPIXOJX-FCEWJHQRSA-N
Molecular Weight 329.396 g/mol
SMILES [C@@]1(C(N2[C@@](C=3C=CC=CC3)(OC[C@@]2(C1)[H])[H])=O)(C(=O)OCC)CC(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84767