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1,6-Anhydro-5-deoxy-5-(hydroxymethyl)hex-2-ulose
SpectraBase Compound ID E7mZUi4ZVyu
InChI InChI=1S/C7H12O5/c8-1-4-2-12-3-5(9)7(11)6(4)10/h4,6-8,10-11H,1-3H2/t4-,6-,7+/m0/s1
InChIKey JYFGZQYOLIYNED-JSKYLQRQSA-N
Mol Weight 176.17 g/mol
Molecular Formula C7H12O5
Exact Mass 176.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1YhH5PyIeQ
Name 1,6-Anhydro-5-deoxy-5-(hydroxymethyl)hex-2-ulose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O5
InChI InChI=1S/C7H12O5/c8-1-4-2-12-3-5(9)7(11)6(4)10/h4,6-8,10-11H,1-3H2/t4-,6-,7+/m0/s1
InChIKey JYFGZQYOLIYNED-JSKYLQRQSA-N
Molecular Weight 176.168 g/mol
SMILES O[C@]1([C@]([C@@](CO)(COCC1=O)[H])(O)[H])[H]
SPLASH splash10-06xx-9000000000-aa12a6bf25447de26190
Synonyms 4,5-Dihydroxy-6-(hydroxymethyl)-3-oxepanone 4,5-Dihydroxy-6-(hydroxymethyl)oxepan-3-one 4,5-Dihydroxy-6-methylol-oxepan-3-one 6-(hydroxymethyl)-4,5-bis(oxidanyl)oxepan-3-one
Wiley ID 1481742