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(5Ars,9asr)-5,5,8-trimethyl-1,3-diphenyl-3,5,5A,6,9,9A-hexahydro[2]benzopyrano[3,4-C]pyrazole
SpectraBase Compound ID 2dYQvv5ddAB
InChI InChI=1S/C25H26N2O/c1-17-14-15-21-20(16-17)22-23(18-10-6-4-7-11-18)26-27(19-12-8-5-9-13-19)24(22)28-25(21,2)3/h4-14,20-21H,15-16H2,1-3H3
InChIKey NQBOFECVHYZAKH-UHFFFAOYSA-N
Mol Weight 370.5 g/mol
Molecular Formula C25H26N2O
Exact Mass 370.204513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LezotYRMBPt
Name (5Ars,9asr)-5,5,8-trimethyl-1,3-diphenyl-3,5,5A,6,9,9A-hexahydro[2]benzopyrano[3,4-C]pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.204513464 u
Formula C25H26N2O
InChI InChI=1S/C25H26N2O/c1-17-14-15-21-20(16-17)22-23(18-10-6-4-7-11-18)26-27(19-12-8-5-9-13-19)24(22)28-25(21,2)3/h4-14,20-21H,15-16H2,1-3H3
InChIKey NQBOFECVHYZAKH-UHFFFAOYSA-N
Molecular Weight 370.496 g/mol
SMILES C12=C(N(C=3C=CC=CC3)N=C1C=1C=CC=CC1)OC(C1C2CC(=CC1)C)(C)C