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1-Naphthalenemethanol, 3-(acetyloxy)-3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, acetate, [3S-(3.alpha.,4a.alpha.,8a.beta.)]-
SpectraBase Compound ID I3K1LwtLtzg
InChI InChI=1S/C19H30O4/c1-12-15(11-22-13(2)20)19(6)9-7-8-18(4,5)17(19)10-16(12)23-14(3)21/h16-17H,7-11H2,1-6H3/t16-,17+,19-/m0/s1
InChIKey KXEZQTOCTVZZLC-SCTDSRPQSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HazFuO5MzUn
Name 1-Naphthalenemethanol, 3-(acetyloxy)-3,4,4A,5,6,7,8,8A-octahydro-2,5,5,8A-tetramethyl-, acetate, [3S-(3.alpha.,4A.alpha.,8A.beta.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.214409442 u
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-12-15(11-22-13(2)20)19(6)9-7-8-18(4,5)17(19)10-16(12)23-14(3)21/h16-17H,7-11H2,1-6H3/t16-,17+,19-/m0/s1
InChIKey KXEZQTOCTVZZLC-SCTDSRPQSA-N
Molecular Weight 322.445 g/mol
SMILES C=1([C@]2([C@](C(C)(C)CCC2)([H])C[C@@](C1C)(OC(=O)C)[H])C)COC(=O)C