Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
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 |