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(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-chlorobenzoate
SpectraBase Compound ID 9hJ1iQWeZjw
InChI InChI=1S/C17H19ClO2/c1-17(2)13-7-6-12(15(17)9-13)10-20-16(19)11-4-3-5-14(18)8-11/h3-6,8,13,15H,7,9-10H2,1-2H3
InChIKey XNSRECQDHQFWQH-UHFFFAOYSA-N
Mol Weight 290.79 g/mol
Molecular Formula C17H19ClO2
Exact Mass 290.107358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PbK6c9Djjc
Name (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-chlorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 290.107357550 u
Formula C17H19ClO2
InChI InChI=1S/C17H19ClO2/c1-17(2)13-7-6-12(15(17)9-13)10-20-16(19)11-4-3-5-14(18)8-11/h3-6,8,13,15H,7,9-10H2,1-2H3
InChIKey XNSRECQDHQFWQH-UHFFFAOYSA-N
Molecular Weight 290.790 g/mol
SMILES C12C(C(C2)CC=C1COC(C1=CC(=CC=C1)Cl)=O)(C)C