Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
SMILES	COc1ccc(cc1)C(=O)C(=O)c1ccc(cc1)OC
InChI Key	YNANGXWUZWWFKX-UHFFFAOYSA-N
Exact Mass	270.280 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YNANGXWUZWWFKX-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/YNANGXWUZWWFKX-UHFFFAOYSA-N/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-02-03
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Title : Apr22-2025 Date : 20250422 Start time : 23.34 h Label : AVC-593 ID : 320550 Solvent : chloroform-D1 (CDCl3) Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO

Data-Source Molecule ID	Data-Source
CHEMBL191513	chembl
557152	surechembl
71043	pubchem
98DR7869CR	fdasrs
PD063888	probes_and_drugs
CASGEI	CCDC
103763	brenda
79774	brenda
41044	bindingdb
41104	bindingdb
41164	bindingdb
41224	bindingdb
41284	bindingdb
41650	bindingdb
41668	bindingdb
41686	bindingdb
41704	bindingdb
51007996	bindingdb
Molport-000-861-126	molport
The data in this table is sourced from UniChem at EBI.