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(3R,7aS)-7a-phenethyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
SpectraBase Compound ID LPkIN88yiOf
InChI InChI=1S/C20H21NO2/c22-19-12-14-20(13-11-16-7-3-1-4-8-16)21(19)18(15-23-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-,20-/m0/s1
InChIKey LFYHJNQKAKKCSN-ICSRJNTNSA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEXweQFKsAg
Name (3R,7as)-7A-Phenethyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-B]oxazol-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.157228918 u
Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c22-19-12-14-20(13-11-16-7-3-1-4-8-16)21(19)18(15-23-20)17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-,20-/m0/s1
InChIKey LFYHJNQKAKKCSN-ICSRJNTNSA-N
Molecular Weight 307.393 g/mol
SMILES [C@@]12(OC[C@](N2C(CC1)=O)(C=1C=CC=CC1)[H])CCC=1C=CC=CC1