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(3aR,5S,8aR,9aR)-3-{[(3-chlorobenzyl)(methyl)amino]methyl}-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one

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

(3aR,5S,8aR,9aR)-3-{[(3-chlorobenzyl)(methyl)amino]methyl}-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID 44MRDcP6OH2
InChI InChI=1S/C23H30ClNO2/c1-15-6-5-9-23(2)12-21-18(11-20(15)23)19(22(26)27-21)14-25(3)13-16-7-4-8-17(24)10-16/h4,7-8,10-11,15,18-19,21H,5-6,9,12-14H2,1-3H3/t15-,18+,19?,21+,23+/m0/s1
InChIKey VHUAEWSLGHCXHE-STQQWSKCSA-N
Mol Weight 387.95 g/mol
Molecular Formula C23H30ClNO2
Exact Mass 387.196507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Jmz4CI24NC
Name (3ar,5S,8ar,9ar)-3-{[(3-chlorobenzyl)(methyl)amino]methyl}-3A,5,6,7,8,8A,9,9A-octahydro-5,8A-dimethylnaphtho[2,3-B]furan-2(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.196506908 u
Formula C23H30ClNO2
InChI InChI=1S/C23H30ClNO2/c1-15-6-5-9-23(2)12-21-18(11-20(15)23)19(22(26)27-21)14-25(3)13-16-7-4-8-17(24)10-16/h4,7-8,10-11,15,18-19,21H,5-6,9,12-14H2,1-3H3/t15-,18+,19?,21+,23+/m0/s1
InChIKey VHUAEWSLGHCXHE-STQQWSKCSA-N
Molecular Weight 387.951 g/mol
SMILES C[C@]1(CCC[C@]2(C)C[C@]3(OC(=O)C(CN(CC4=CC(=CC=C4)Cl)C)[C@@]3([H])C=C12)[H])[H]