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(2Z,5Z,8Z)-1,4,7-trioxonin
SpectraBase Compound ID IuErMbrraEG
InChI InChI=1S/C6H6O3/c1-2-8-5-6-9-4-3-7-1/h1-6H/b2-1-,4-3-,6-5-
InChIKey GQNOFMQXNNZQRY-SQCKSILFSA-N
Mol Weight 126.11 g/mol
Molecular Formula C6H6O3
Exact Mass 126.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55twtjUqNzo
Name (2Z,5Z,8Z)-1,4,7-trioxonin
CAS Registry Number 39078-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O3
InChI InChI=1S/C6H6O3/c1-2-8-5-6-9-4-3-7-1/h1-6H/b2-1-,4-3-,6-5-
InChIKey GQNOFMQXNNZQRY-SQCKSILFSA-N
Molecular Weight 126.111 g/mol
SMILES O1\C=C/O\C=C/O\C=C/1
SPLASH splash10-004l-9200000000-bb1cb9ce3747cee94819
Source of Spectrum K-112-3344-0
Synonyms (2Z,5Z,8Z)-1,4,7-trioxonine 1,4,7-Trioxonin
Wiley ID 1129715