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5-(4-Methoxyphenyl)-2-phenyltetrahydrothiopyran-4-one
SpectraBase Compound ID Bls7lMBnN3L
InChI InChI=1S/C18H18O2S/c1-20-15-9-7-13(8-10-15)16-12-21-18(11-17(16)19)14-5-3-2-4-6-14/h2-10,16,18H,11-12H2,1H3
InChIKey NMXDUQMRWYTBHD-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C18H18O2S
Exact Mass 298.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4C1kfideWvD
Name 5-(4-Methoxyphenyl)-2-phenyltetrahydrothiopyran-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H18O2S
InChI InChI=1S/C18H18O2S/c1-20-15-9-7-13(8-10-15)16-12-21-18(11-17(16)19)14-5-3-2-4-6-14/h2-10,16,18H,11-12H2,1H3
InChIKey NMXDUQMRWYTBHD-UHFFFAOYSA-N
Molecular Weight 298.400 g/mol
SMILES C1(CC(C(CS1)c1ccc(cc1)OC)=O)c1ccccc1
SPLASH splash10-001i-0910000000-df46357dc4965005dba1
Source of Spectrum K1-0-4049-1
Synonyms 5-(4-methoxyphenyl)-2-phenyltetrahydro-4H-thiopyran-4-one
Wiley ID 1589393