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(3R,5S,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[3,2-a]pyridine-5-carboxylic acid ethyl ester
SpectraBase Compound ID EWBtPMvIsiu
InChI InChI=1S/C16H21NO3/c1-2-19-16(18)13-9-6-10-15-17(13)14(11-20-15)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14-,15+/m0/s1
InChIKey VMQAFQITMCIHEY-SOUVJXGZSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HV0yCgNEFCt
Name (3R,5S,8ar)-3-Phenyl-3,5,6,7,8,8A-hexahydro-2H-oxazolo[3,2-A]pyridine-5-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.152143537 u
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-2-19-16(18)13-9-6-10-15-17(13)14(11-20-15)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14-,15+/m0/s1
InChIKey VMQAFQITMCIHEY-SOUVJXGZSA-N
Molecular Weight 275.348 g/mol
SMILES [C@]1(N2[C@](OC1)(CCC[C@]2(C(=O)OCC)[H])[H])(C=1C=CC=CC1)[H]