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(3aR,8aR,9aR)-3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3aR,8aR,9aR)-3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID 5j8Bi6gszDf
InChI InChI=1S/C21H34N2O3/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(25)26-19)14-23-8-6-22(7-9-23)10-11-24/h16-19,24H,1,3-14H2,2H3/t16-,17?,18?,19-,21-/m1/s1
InChIKey OIXWLFJIDUVQFO-UCMFBROFSA-N
Mol Weight 362.5 g/mol
Molecular Formula C21H34N2O3
Exact Mass 362.256943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeU4fxcuvEF
Name (3ar,8ar,9ar)-3-[[4-(2-Hydroxyethyl)-1-piperazinyl]methyl]-8A-methyl-5-methylene-3A,4,4A,6,7,8,9,9A-octahydro-3H-benzo[F]benzofuran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.256942960 u
Formula C21H34N2O3
InChI InChI=1S/C21H34N2O3/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(25)26-19)14-23-8-6-22(7-9-23)10-11-24/h16-19,24H,1,3-14H2,2H3/t16-,17?,18?,19-,21-/m1/s1
InChIKey OIXWLFJIDUVQFO-UCMFBROFSA-N
Molecular Weight 362.514 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)CCO