Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)10-7-8-11(13(18)20-5)12(9-10)14(19)21-6/h7-9H,1-6H3
SMILES	COC(=O)c1cc(ccc1C(=O)OC)B1OC(C(O1)(C)C)(C)C
InChI Key	RLDRAXBPIRSRSV-UHFFFAOYSA-N
Exact Mass	320.145 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Go to source

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RLDRAXBPIRSRSV-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/RLDRAXBPIRSRSV-UHFFFAOYSA-N/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-03-23
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-06-30 Start time : 21:11:01 UTC Creator : Yuting Li Label : YTL-1184 ID : 375650 Solvent : CDCl3 Temperature : 297.9981 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
25035049	surechembl
99973125	pubchem
Molport-035-874-525	molport
The data in this table is sourced from UniChem at EBI.