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/C22H27BO4/c1-14-13-19(23-26-21(3,4)22(5,6)27-23)15(2)12-18(14)16-8-10-17(11-9-16)20(24)25-7/h8-13H,1-7H3
SMILES COC(=O)c1ccc(cc1)c1cc(C)c(cc1C)B1OC(C(O1)(C)C)(C)C
InChI Key XYIKIKCUYGUMNY-UHFFFAOYSA-N
Molecular Formula C22H27BO4
Exact Mass 366.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XYIKIKCUYGUMNY-UHFFFAOYSA-N/NMR/13C/CDCl3/125
License URL
Source https://www.chemotion-repository.net/inchikey/XYIKIKCUYGUMNY-UHFFFAOYSA-N/NMR/13C/CDCl3/125
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:44:09.110753
MetadataModified 2024-09-07T12:10:15.504852
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427294 PubChem
The data in this table is sourced from UniChem at EBI.