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Dimethyl 3-benzyl-c-6-methyl-2-oxotetrahydro-2H-pyran-r-3,c-5-dicarboxylate
SpectraBase Compound ID HCvpM4a2C4C
InChI InChI=1S/C17H20O6/c1-11-13(14(18)21-2)10-17(15(19)22-3,16(20)23-11)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t11-,13-,17-/m1/s1
InChIKey VKIABWMVLPUMSL-CJBNDPTMSA-N
Mol Weight 320.34 g/mol
Molecular Formula C17H20O6
Exact Mass 320.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nQiKIYQQwa
Name Dimethyl 3-benzyl-c-6-methyl-2-oxotetrahydro-2H-pyran-r-3,c-5-dicarboxylate
Alternate Name(s) (3S,5R,6R)-3-Benzyl-6-methyl-2-oxo-tetrahydro-pyran-3,5-dicarboxylic acid dimethyl ester Dimethyl (3R,5S,6S)-3-benzyl-6-methyl-2-oxotetrahydro-2H-pyran-3,5-dicarboxylate
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Formula C17H20O6
InChI InChI=1S/C17H20O6/c1-11-13(14(18)21-2)10-17(15(19)22-3,16(20)23-11)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t11-,13-,17-/m1/s1
InChIKey VKIABWMVLPUMSL-CJBNDPTMSA-N
Molecular Weight 320.341 g/mol
SMILES [C@@]1(C(O[C@@]([C@@](C1)(C(=O)OC)[H])(C)[H])=O)(C(=O)OC)Cc1ccccc1
SPLASH splash10-0006-9231000000-91fb638b7eff22055ba4
Source of Spectrum JA-49-839-0
Wiley ID 1320029