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2-(8-Hydroxy-4A,8-dimethyldecahydronaphthalen-2-yl)acrylic acid, 2me derivation
SpectraBase Compound ID 70FJpUeefay
InChI InChI=1S/C17H28O3/c1-12(15(18)19-4)13-7-10-16(2)8-6-9-17(3,20-5)14(16)11-13/h13-14H,1,6-11H2,2-5H3
InChIKey ACDJIYCEXZSHOY-UHFFFAOYSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwjNP0q2irz
Name 2-(8-Hydroxy-4A,8-dimethyldecahydronaphthalen-2-yl)acrylic acid, 2me derivation
Comments Computed using HOSE algorithm
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Exact Mass 280.203844759 u
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-12(15(18)19-4)13-7-10-16(2)8-6-9-17(3,20-5)14(16)11-13/h13-14H,1,6-11H2,2-5H3
InChIKey ACDJIYCEXZSHOY-UHFFFAOYSA-N
SMILES C(C(=C)C1CC2C(CC1)(CCCC2(C)OC)C)(=O)OC