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3-Oxo-hexanedioic acid, 1-benzyl ester

View entire compound with spectra: 4 MS (GC)

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 5yYOMu1B19C
Name 3-Oxo-hexanedioic acid, 1-benzyl ester
CAS Registry Number 71010-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 250.250 g/mol
SMILES OC(CCC(CC(OCc1ccccc1)=O)=O)=O
SPLASH splash10-05mp-9500000000-6278f6443533eedd79d0
Synonyms 4,6-bis(oxidanylidene)-6-phenylmethoxy-hexanoic acid 4,6-Dioxo-6-phenylmethoxyhexanoic acid 6-Benzoxy-4,6-diketo-hexanoic acid 6-Benzyloxy-4,6-dioxo-hexanoic acid
Wiley ID 1482902