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3,5,7-Trioxooctanoic acid
SpectraBase Compound ID 82eWE9zgC9Z
InChI InChI=1S/C8H10O5/c1-5(9)2-6(10)3-7(11)4-8(12)13/h2-4H2,1H3,(H,12,13)
InChIKey PZBQJHYTCAQGMA-UHFFFAOYSA-N
Mol Weight 186.16 g/mol
Molecular Formula C8H10O5
Exact Mass 186.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BzC4yL1He2
Name 3,5,7-Trioxooctanoic acid
Alternate Name(s) 3,5,7-tris(oxidanylidene)octanoic acid
CAS Registry Number 7028-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O5
InChI InChI=1S/C8H10O5/c1-5(9)2-6(10)3-7(11)4-8(12)13/h2-4H2,1H3,(H,12,13)
InChIKey PZBQJHYTCAQGMA-UHFFFAOYSA-N
Molecular Weight 186.163 g/mol
SMILES OC(CC(CC(CC(=O)C)=O)=O)=O
SPLASH splash10-0006-9100000000-631f8ccd458f746abf1b
Source of Spectrum C-98-7739-0
Wiley ID 1182364