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(7aR,11R,13S)-11,13-Diphenyl-8,9,10,11-tetraahydro-7aH,13H-naphtho[1,2-e]pyrido[2,1-b][1,3]oxazine
SpectraBase Compound ID 30YYE3ipvGi
InChI InChI=1S/C28H25NO/c1-3-11-21(12-4-1)24-16-9-17-26-29(24)28(22-13-5-2-6-14-22)27-23-15-8-7-10-20(23)18-19-25(27)30-26/h1-8,10-15,18-19,24,26,28H,9,16-17H2/t24-,26-,28+/m1/s1
InChIKey GNCNJYHAJZESBY-INOCPDNRSA-N
Mol Weight 391.51 g/mol
Molecular Formula C28H25NO
Exact Mass 391.193614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85JUDqoUxR8
Name (7ar,11R,13S)-11,13-Diphenyl-8,9,10,11-tetraahydro-7ah,13H-naphtho[1,2-E]pyrido[2,1-B][1,3]oxazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.193614428 u
Formula C28H25NO
InChI InChI=1S/C28H25NO/c1-3-11-21(12-4-1)24-16-9-17-26-29(24)28(22-13-5-2-6-14-22)27-23-15-8-7-10-20(23)18-19-25(27)30-26/h1-8,10-15,18-19,24,26,28H,9,16-17H2/t24-,26-,28+/m1/s1
InChIKey GNCNJYHAJZESBY-INOCPDNRSA-N
Molecular Weight 391.514 g/mol
SMILES [C@@]1(N2[C@](OC=3C=CC=4C(C13)=CC=CC4)(CCC[C@@]2(C1=CC=CC=C1)[H])[H])(C=1C=CC=CC1)[H]