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(S)-1-Phenylethyl 2-(phenylethynyl)benzoate
SpectraBase Compound ID mBLSbnLMM5
InChI InChI=1S/C23H18O2/c1-18(20-12-6-3-7-13-20)25-23(24)22-15-9-8-14-21(22)17-16-19-10-4-2-5-11-19/h2-15,18H,1H3/t18-/m0/s1
InChIKey NIFDNZYEFOMPBV-SFHVURJKSA-N
Mol Weight 326.4 g/mol
Molecular Formula C23H18O2
Exact Mass 326.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGlZRXDlxTC
Name (S)-1-Phenylethyl 2-(phenylethynyl)benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H18O2
InChI InChI=1S/C23H18O2/c1-18(20-12-6-3-7-13-20)25-23(24)22-15-9-8-14-21(22)17-16-19-10-4-2-5-11-19/h2-15,18H,1H3/t18-/m0/s1
InChIKey NIFDNZYEFOMPBV-SFHVURJKSA-N
Molecular Weight 326.395 g/mol
SMILES C(O[C@](c1ccccc1)(C)[H])(c1c(C#Cc2ccccc2)cccc1)=O
SPLASH splash10-0a4i-0901000000-b46b99367616d8541415
Source of Spectrum F-65-1780-1i
Wiley ID 1681598