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/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
SMILES OC(=O)CC(CC(=O)O)(C)C
InChI Key DUHQIGLHYXLKAE-UHFFFAOYSA-N
Molecular Formula C7H12O4
Exact Mass 160.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DUHQIGLHYXLKAE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DUHQIGLHYXLKAE-UHFFFAOYSA-N/CHMO0000595
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:28:30.539154
MetadataModified 2024-09-08T04:28:30.539159
MetadataPublished 2024-08-09
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables