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1-Naphthaleneacetic acid, octyl ester
SpectraBase Compound ID 3Alf1tSbhnH
InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-9-15-22-20(21)16-18-13-10-12-17-11-7-8-14-19(17)18/h7-8,10-14H,2-6,9,15-16H2,1H3
InChIKey CZANVDHOSUAOQW-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EktLe0Rn8JD
Name 1-Naphthaleneacetic acid, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 298.193280075 u
Formula C20H26O2
InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-9-15-22-20(21)16-18-13-10-12-17-11-7-8-14-19(17)18/h7-8,10-14H,2-6,9,15-16H2,1H3
InChIKey CZANVDHOSUAOQW-UHFFFAOYSA-N
SMILES C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OCCCCCCCC