For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(4R,5R,6R)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-one
SpectraBase Compound ID 8xfysqaQnP9
InChI InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4,6-9,11-12H,2H2/t4-,6-,7+/m1/s1
InChIKey DEJZWTDEKQRWLD-QXRNQMCJSA-N
Mol Weight 174.15 g/mol
Molecular Formula C7H10O5
Exact Mass 174.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JIYGNpZP82d
Name (4R,5R,6R)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O5
InChI InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4,6-9,11-12H,2H2/t4-,6-,7+/m1/s1
InChIKey DEJZWTDEKQRWLD-QXRNQMCJSA-N
Molecular Weight 174.152 g/mol
SMILES O[C@@]1([C@@]([C@@](C=C(C1=O)CO)(O)[H])(O)[H])[H]
SPLASH splash10-02ta-8900000000-5579554a47b23908cdd5
Source of Spectrum H-68-982-2
Synonyms (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-1-cyclohex-2-enone (4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one (4R,5R,6R)-4,5,6-trihydroxy-2-methylol-cyclohex-2-en-1-one
Wiley ID 1170135