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(3S,4R)-4(4-Methoxybenzoyl)-3-methyltetrahydropyran-2-one
SpectraBase Compound ID Bqyfm2XbSAJ
InChI InChI=1S/C14H16O4/c1-9-12(7-8-18-14(9)16)13(15)10-3-5-11(17-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1
InChIKey HDRGGSBQFXQTDM-JOYOIKCWSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TVkEjqyFtm
Name (3S,4R)-4(4-Methoxybenzoyl)-3-methyltetrahydropyran-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-9-12(7-8-18-14(9)16)13(15)10-3-5-11(17-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1
InChIKey HDRGGSBQFXQTDM-JOYOIKCWSA-N
Molecular Weight 248.278 g/mol
SMILES C([C@]1([C@@](C(=O)OCC1)(C)[H])[H])(c1ccc(cc1)OC)=O
SPLASH splash10-000i-0900000000-0d4e04d350b549eab4d1
Source of Spectrum F-52-10092-10
Synonyms (3S,4R)-4-(4-methoxybenzoyl)-3-methyltetrahydro-2H-pyran-2-one
Wiley ID 797813