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5-Chlorovaleric acid, 2-naphthyl ester
SpectraBase Compound ID 5VPTekKPUE5
InChI InChI=1S/C15H15ClO2/c16-10-4-3-7-15(17)18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2
InChIKey ZCUGJMUORSUDHD-UHFFFAOYSA-N
Mol Weight 262.74 g/mol
Molecular Formula C15H15ClO2
Exact Mass 262.076057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID V17YlCKdpF
Name 5-Chlorovaleric acid, 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 262.076057421 u
Formula C15H15ClO2
InChI InChI=1S/C15H15ClO2/c16-10-4-3-7-15(17)18-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2
InChIKey ZCUGJMUORSUDHD-UHFFFAOYSA-N
Molecular Weight 262.736 g/mol
SMILES C1=CC2=CC(OC(CCCCCl)=O)=CC=C2C=C1