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2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, 9-[[4-(diphenylmethyl)-1-piperazinyl]methyl]octahydro-2,5a-dimethyl-
SpectraBase Compound ID FAndvRs1Wcr
InChI InChI=1S/C32H40N2O3/c1-22-10-9-15-31(2)20-26-27(29-32(22,31)37-29)25(30(35)36-26)21-33-16-18-34(19-17-33)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,22,25-29H,9-10,15-21H2,1-2H3
InChIKey COFAEEGTGWXAFK-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C32H40N2O3
Exact Mass 500.303893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQftZggojka
Name 2H-Benzo[F]oxireno[2,3-E]benzofuran-8(9H)-one, 9-[[4-(diphenylmethyl)-1-piperazinyl]methyl]octahydro-2,5A-dimethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.303893153 u
Formula C32H40N2O3
InChI InChI=1S/C32H40N2O3/c1-22-10-9-15-31(2)20-26-27(29-32(22,31)37-29)25(30(35)36-26)21-33-16-18-34(19-17-33)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,22,25-29H,9-10,15-21H2,1-2H3
InChIKey COFAEEGTGWXAFK-UHFFFAOYSA-N
Molecular Weight 500.683 g/mol
SMILES C123C(C4C(C(=O)OC4CC3(CCCC1C)C)CN1CCN(CC1)C(C=1C=CC=CC1)C=1C=CC=CC1)O2