Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H16O5/c1-5-6(11)7-8(9(12-4)13-5)15-10(2,3)14-7/h5,7-9H,1-4H3/t5-,7+,8+,9+/m0/s1
SMILES CO[C@@H]1O[C@@H](C)C(=O)[C@@H]2[C@H]1OC(O2)(C)C
InChI Key KJWWTYGUBFMPSA-KDBVAPGDSA-N
Molecular Formula C10H16O5
Exact Mass 216.231 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KJWWTYGUBFMPSA-KDBVAPGDSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/KJWWTYGUBFMPSA-KDBVAPGDSA-N/NMR/13C/CDCl3/75.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2016-11-17
Related Molecule
  • (3aR,4R,6S,7aS)-4-methoxy-2,2,6-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7704062 surechembl
    10856890 pubchem
    The data in this table is sourced from UniChem at EBI.