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6-Methyl-3-(4-oxo-1-phenylpentyl)-3,4-dihydro-2H-pyran-2-one
SpectraBase Compound ID DCfXrawnGCx
InChI InChI=1S/C17H20O3/c1-12(18)8-10-15(14-6-4-3-5-7-14)16-11-9-13(2)20-17(16)19/h3-7,9,15-16H,8,10-11H2,1-2H3/t15-,16?/m1/s1
InChIKey YCRACSOUUKVSGK-AAFJCEBUSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBy86HSISAN
Name 6-Methyl-3-(4-oxo-1-phenylpentyl)-3,4-dihydro-2H-pyran-2-one
Alternate Name(s) 6-Methyl-3-((S)-4-oxo-1-phenylpentyl)-3,4-dihydro-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-12(18)8-10-15(14-6-4-3-5-7-14)16-11-9-13(2)20-17(16)19/h3-7,9,15-16H,8,10-11H2,1-2H3/t15-,16?/m1/s1
InChIKey YCRACSOUUKVSGK-AAFJCEBUSA-N
Literature Reference DOI 10.1039/c1ra00482d
Molecular Weight 272.344 g/mol
SMILES C=1CC([C@](CCC(C)=O)(c2ccccc2)[H])C(=O)OC1C
SPLASH splash10-03di-0900000000-6cd1d61b27d0247253fa
Source of Spectrum RSA-1-1805-4a
Wiley ID 1747793