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Pentanedioic acid, 2-(benzoyloxy)-, dimethyl ester, (.+-.)-
SpectraBase Compound ID 1g5TyHF1yTQ
InChI InChI=1S/C14H16O6/c1-18-12(15)9-8-11(14(17)19-2)20-13(16)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
InChIKey KDEOOIJPYBTLFT-LLVKDONJSA-N
Mol Weight 280.28 g/mol
Molecular Formula C14H16O6
Exact Mass 280.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VTrLfCrCyi
Name Pentanedioic acid, 2-(benzoyloxy)-, dimethyl ester, (.+-.)-
CAS Registry Number 111075-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O6
InChI InChI=1S/C14H16O6/c1-18-12(15)9-8-11(14(17)19-2)20-13(16)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
InChIKey KDEOOIJPYBTLFT-LLVKDONJSA-N
Molecular Weight 280.276 g/mol
SMILES C(O[C@@](C(=O)OC)(CCC(=O)OC)[H])(=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-3060e9ae0873d4b87f98
Source of Spectrum KC-1986-1577-53
Synonyms (R,S)-dimethyl 2-(benzoyloxy)pentanedioate Dimethyl (2R)-2-(benzoyloxy)pentanedioate
Wiley ID 1283609