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/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
MetadataCreated 2024-09-06T22:20:13.057814
MetadataModified 2024-09-07T14:14:25.589450
MetadataPublished 2016-11-17
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL7704062 SureChEMBL
J1.430.679J Nikkaji
15900174 PubChem: Thomson Pharma
10856890 PubChem
The data in this table is sourced from UniChem at EBI.