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2,4-Pentanedione, 3-ethyl-3-hydroxy-, benzoate
SpectraBase Compound ID AQYhhLojQx7
InChI InChI=1S/C14H16O4/c1-4-14(10(2)15,11(3)16)18-13(17)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKey SKLMBDZAIANLJW-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEXNrDTxyWY
Name 2,4-Pentanedione, 3-ethyl-3-hydroxy-, benzoate
Alternate Name(s) 1-Acetyl-1-ethyl-2-oxopropyl benzoate 3-Benzoyloxy-3-ethyl-penta-2,4-dione benzoic acid (3-ethyl-2,4-dioxopentan-3-yl) ester (3-ethyl-2,4-dioxopentan-3-yl) benzoate (1-acetyl-1-ethyl-2-oxo-propyl) benzoate [3-ethyl-2,4-bis(oxidanylidene)pentan-3-yl] benzoate
CAS Registry Number 10225-35-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-4-14(10(2)15,11(3)16)18-13(17)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKey SKLMBDZAIANLJW-UHFFFAOYSA-N
Molecular Weight 248.278 g/mol
SMILES C(OC(=O)c1ccccc1)(C(=O)C)(C(=O)C)CC
SPLASH splash10-0a4i-3920000000-56973957203af478b64b
Source of Spectrum AD-0-4944-0
Wiley ID 1251025