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

*Links on SpectraBase are not permalinks.
Isoxyloketal B
SpectraBase Compound ID 2RYgzPklgMk
InChI InChI=1S/C13H16O4/c1-7-6-16-13(2)10(7)5-9-11(15)3-8(14)4-12(9)17-13/h3-4,7,10,14-15H,5-6H2,1-2H3/t7?,10-,13-/m1/s1
InChIKey JRVROSQSWLPQMV-UXJNMKMCSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 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 BXTJwWuyA00
Name Isoxyloketal B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7-6-16-13(2)10(7)5-9-11(15)3-8(14)4-12(9)17-13/h3-4,7,10,14-15H,5-6H2,1-2H3/t7?,10-,13-/m1/s1
InChIKey JRVROSQSWLPQMV-UXJNMKMCSA-N
Molecular Weight 236.267 g/mol
SMILES Oc1cc2O[C@@]3([C@](Cc2c(c1)O)(C(CO3)C)[H])C
SPLASH splash10-000i-9640000000-a51a8e9440424394a1cd
Source of Spectrum K1-2004-1270-6
Synonyms (3aR,9aR)-3,9a-dimethyl-2,3,3a,4-tetrahydrofuro[2,3-b][1]benzopyran-5,7-diol
Wiley ID 1560558