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(1R,2R,6R,7R) 6-(Acetoxymethyl)-5-methylene-1,7,11,11-tetramethyl-12-oximidotricyclo[8.4.0.0(2,7)]tetradecane
SpectraBase Compound ID 5tPlTnk7eFY
InChI InChI=1S/C22H35NO3/c1-14-7-8-18-21(5,16(14)13-26-15(2)24)11-9-17-20(3,4)19(23-25)10-12-22(17,18)6/h16-18,25H,1,7-13H2,2-6H3/b23-19+/t16-,17+,18+,21+,22+/m1/s1
InChIKey KSRXXUVSJULXPO-LAYWNMEQSA-N
Mol Weight 361.5 g/mol
Molecular Formula C22H35NO3
Exact Mass 361.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bp4Hht96QRV
Name (1R,2R,6R,7R) 6-(Acetoxymethyl)-5-methylene-1,7,11,11-tetramethyl-12-oximidotricyclo[8.4.0.0(2,7)]tetradecane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.261693988 u
Formula C22H35NO3
InChI InChI=1S/C22H35NO3/c1-14-7-8-18-21(5,16(14)13-26-15(2)24)11-9-17-20(3,4)19(23-25)10-12-22(17,18)6/h16-18,25H,1,7-13H2,2-6H3/b23-19+/t16-,17+,18+,21+,22+/m1/s1
InChIKey KSRXXUVSJULXPO-LAYWNMEQSA-N
Molecular Weight 361.526 g/mol
SMILES [C@]12([C@@]3([C@@]([C@](COC(=O)C)(C(CC3)=C)[H])(C)CC[C@]1(C(C)(C)\C(CC2)=N\O)[H])[H])C