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(3Ars,7asr)-3A,7,7-trimethyl-3-phenyl-3A,4,5,6,7,7A-hexahydro-1H-inden-1-one
SpectraBase Compound ID BMx3SZvJ71g
InChI InChI=1S/C18H22O/c1-17(2)10-7-11-18(3)14(12-15(19)16(17)18)13-8-5-4-6-9-13/h4-6,8-9,12,16H,7,10-11H2,1-3H3/t16-,18-/m0/s1
InChIKey WXSYVAGGPBGODZ-WMZOPIPTSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kp5OPjuJIvJ
Name (3Ars,7asr)-3A,7,7-trimethyl-3-phenyl-3A,4,5,6,7,7A-hexahydro-1H-inden-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.167065327 u
Formula C18H22O
InChI InChI=1S/C18H22O/c1-17(2)10-7-11-18(3)14(12-15(19)16(17)18)13-8-5-4-6-9-13/h4-6,8-9,12,16H,7,10-11H2,1-3H3/t16-,18-/m0/s1
InChIKey WXSYVAGGPBGODZ-WMZOPIPTSA-N
Molecular Weight 254.373 g/mol
SMILES [C@]12(C(=CC([C@]2(C(C)(C)CCC1)[H])=O)C1=CC=CC=C1)C