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Acetic acid, [(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-naphthalenyl ester

View entire compound with spectra: 2 NMR

Acetic acid, [(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-naphthalenyl ester
SpectraBase Compound ID DrmPOW5Oie1
InChI InChI=1S/C18H16N2O2S/c1-12-9-13(2)20-18(19-12)23-11-17(21)22-16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3
InChIKey QKJFDMVLHFAJEF-UHFFFAOYSA-N
Mol Weight 324.4 g/mol
Molecular Formula C18H16N2O2S
Exact Mass 324.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uebJZ9Q8dF
Name Acetic acid, [(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-naphthalenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 324.093248935 u
Formula C18H16N2O2S
InChI InChI=1S/C18H16N2O2S/c1-12-9-13(2)20-18(19-12)23-11-17(21)22-16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3
InChIKey QKJFDMVLHFAJEF-UHFFFAOYSA-N
Molecular Weight 324.398 g/mol
SMILES C1(=NC(C)=CC(=N1)C)SCC(OC=1C=C2C=CC=CC2=CC1)=O