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4,6-Diketo-1-heptanol

View entire compound with spectra: 1 MS (GC)

4,6-Diketo-1-heptanol
SpectraBase Compound ID 3p9OjIWxJPC
InChI InChI=1S/C7H12O3/c1-6(9)5-7(10)3-2-4-8/h8H,2-5H2,1H3
InChIKey PVOGAQUJPPPZRF-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fro3Slsnj56
Name 4,6-Diketo-1-heptanol
CAS Registry Number 57245-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-6(9)5-7(10)3-2-4-8/h8H,2-5H2,1H3
InChIKey PVOGAQUJPPPZRF-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES OCCCC(CC(C)=O)=O
SPLASH splash10-02vl-9500000000-ff842a5cfa2021855a99
Source of Spectrum EK-1999-688-0
Synonyms 7-Hydroxy-2,4-heptanedione 7-Hydroxyheptane-2,4-dione 7-Oxidanylheptane-2,4-dione
Wiley ID 1142483