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Benzoic acid, 5-methylene-1,1,4a-trimethyldecalin-6-on-2-yl ester (8a.beta.)
SpectraBase Compound ID F0uIpyYOzRd
InChI InChI=1S/C21H26O3/c1-14-16(22)10-11-17-20(2,3)18(12-13-21(14,17)4)24-19(23)15-8-6-5-7-9-15/h5-9,17-18H,1,10-13H2,2-4H3
InChIKey WBCUSRXECMDRDM-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5r5qyeEwQi
Name Benzoic acid, 5-methylene-1,1,4A-trimethyldecalin-6-on-2-yl ester (8A.beta.)
Comments Computed using HOSE algorithm
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Exact Mass 326.188194694 u
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-14-16(22)10-11-17-20(2,3)18(12-13-21(14,17)4)24-19(23)15-8-6-5-7-9-15/h5-9,17-18H,1,10-13H2,2-4H3
InChIKey WBCUSRXECMDRDM-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C1=CC=CC(=C1)C(OC1C(C)(C)C2CCC(=O)C(C2(C)CC1)=C)=O