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(3aR*,11S*,11aS*)-11-Phenyl-3,3a,11,11a-tetrahydro-1H-furo[3',4':4,5]pyrimido[2,1-b][1,3]benzpxazole-3-one
SpectraBase Compound ID 61qHJR9FTMg
InChI InChI=1S/C18H14N2O3/c21-17-15-12(10-22-17)16(11-6-2-1-3-7-11)20-13-8-4-5-9-14(13)23-18(20)19-15/h1-9,12,15-16H,10H2/t12-,15-,16-/m1/s1
InChIKey WNKDMJAPCSATMW-DAXOMENPSA-N
Mol Weight 306.32 g/mol
Molecular Formula C18H14N2O3
Exact Mass 306.100442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIP4VZrIo52
Name (3ar*,11S*,11As*)-11-phenyl-3,3A,11,11A-tetrahydro-1H-furo[3',4':4,5]pyrimido[2,1-B][1,3]benzpxazole-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.100442316 u
Formula C18H14N2O3
InChI InChI=1S/C18H14N2O3/c21-17-15-12(10-22-17)16(11-6-2-1-3-7-11)20-13-8-4-5-9-14(13)23-18(20)19-15/h1-9,12,15-16H,10H2/t12-,15-,16-/m1/s1
InChIKey WNKDMJAPCSATMW-DAXOMENPSA-N
Molecular Weight 306.321 g/mol
SMILES C=12N([C@](C=3C=CC=CC3)([C@]3([C@@](N1)(C(OC3)=O)[H])[H])[H])C1=CC=CC=C1O2