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3-Oxo-hexanedioic acid, 1-benzyl ester
SpectraBase Compound ID 5SJCRvvkeKS
InChI InChI=1S/C13H14O5/c14-11(6-7-12(15)16)8-13(17)18-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKey MSUHOIIHBLDWSC-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44rRk9BzP4M
Name 3-OXOHEXANEDIOIC ACID, 1-BENZYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c14-11(6-7-12(15)16)8-13(17)18-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKey MSUHOIIHBLDWSC-UHFFFAOYSA-N
Molecular Weight 250.0837
SMILES OC(=O)CCC(=O)CC(=O)OCc1ccccc1
SPLASH splash10-05mp-9500000000-310390ea571a8b2b14cc
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