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/C6H10BO6.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h7H,1-3H3;/q-1;+1
SMILES CC(=O)O[BH-](OC(=O)C)OC(=O)C.[Na+]
InChI Key HHYFEYBWNZJVFQ-UHFFFAOYSA-N
Molecular Formula C6H10BNaO6
Exact Mass 211.941 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HHYFEYBWNZJVFQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HHYFEYBWNZJVFQ-UHFFFAOYSA-N/CHMO0000595
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:07:54.517825
MetadataModified 2025-01-29T16:01:36.392180
MetadataPublished 2024-10-14
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
714543 eMolecules
5049666 PubChem
56553-60-7 ACToR
4VU0JE4YSK FDA SRS
CB3321854 ChemicalBook
DTXSID8074368 EPA CompTox Dashboard
J1.884.353F Nikkaji
J2.805.651F Nikkaji
SCHEMBL1527 SureChEMBL
The data in this table is sourced from UniChem at EBI.