Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
SMILES CCOC(=O)C(C(=O)OCC)C(C)C
InChI Key BYQFBFWERHXONI-UHFFFAOYSA-N
Molecular Formula C10H18O4
Exact Mass 202.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYQFBFWERHXONI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BYQFBFWERHXONI-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-02T03:10:38.820686
MetadataModified 2025-03-02T03:10:38.820694
MetadataPublished 2025-02-28
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB2404826 ChemicalBook
496919 eMolecules
759-36-4 ACToR
CB2183215 ChemicalBook
ZINC000001587764 ZINC
J26.288I Nikkaji
DTXSID60226820 EPA CompTox Dashboard
MCULE-3078468824 Mcule
20026471 NMRShiftDB
12966 PubChem
SCHEMBL335361 SureChEMBL
The data in this table is sourced from UniChem at EBI.