Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

InChI	InChI=1S/C18H14O6/c1-23-17(21)13-7-3-11(4-8-13)15(19)16(20)12-5-9-14(10-6-12)18(22)24-2/h3-10H,1-2H3
SMILES	COC(=O)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)C(=O)OC
InChI Key	PCLYIKBMKKHYMD-UHFFFAOYSA-N
Molecular Formula	C18H14O6
Exact Mass	326.300 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PCLYIKBMKKHYMD-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/PCLYIKBMKKHYMD-UHFFFAOYSA-N/CHMO0001146
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-02-03
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	title : Apr11-2025 date : 20250411 starting time : 23.07 h label : AVC-386 id : 248311 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : Avance NEO

Data-Source Molecule ID	Data-Source
31120317	surechembl
10980309	pubchem
AFALAY	CCDC
Molport-047-852-822	molport
The data in this table is sourced from UniChem at EBI.