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Benzoic acid, 3-chloro-, 2-(9-anthracenyl)ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 3-chloro-, 2-(9-anthracenyl)ethyl ester
SpectraBase Compound ID Hcr1snY6ebD
InChI InChI=1S/C23H17ClO2/c24-19-9-5-8-18(15-19)23(25)26-13-12-22-20-10-3-1-6-16(20)14-17-7-2-4-11-21(17)22/h1-11,14-15H,12-13H2
InChIKey GPECLXXVGCHBFU-UHFFFAOYSA-N
Mol Weight 360.84 g/mol
Molecular Formula C23H17ClO2
Exact Mass 360.091707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXE8JnXJUaA
Name Benzoic acid, 3-chloro-, 2-(9-anthracenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.091707485 u
Formula C23H17ClO2
InChI InChI=1S/C23H17ClO2/c24-19-9-5-8-18(15-19)23(25)26-13-12-22-20-10-3-1-6-16(20)14-17-7-2-4-11-21(17)22/h1-11,14-15H,12-13H2
InChIKey GPECLXXVGCHBFU-UHFFFAOYSA-N
Molecular Weight 360.840 g/mol
SMILES C1(=C2C(C=CC=C2)=CC=2C1=CC=CC2)CCOC(C=1C=C(Cl)C=CC1)=O