Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C30H18O6/c31-25(19-7-3-1-4-8-19)27(33)21-11-15-23(16-12-21)29(35)30(36)24-17-13-22(14-18-24)28(34)26(32)20-9-5-2-6-10-20/h1-18H
SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccc(cc1)C(=O)C(=O)c1ccccc1
InChI Key RLIAGQLOSJHJOT-UHFFFAOYSA-N
Exact Mass 474.460 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLIAGQLOSJHJOT-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/RLIAGQLOSJHJOT-UHFFFAOYSA-N/CHMO0001146
Version
Author Sarah Wulff
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-03
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
date : 2025-05-24

starting time : 07:56:38 UTC

creator : Aleksandra Vranic

label : AVC-715

id : 363989

Solvent : CDCl3

temperature : 298.0316 K

PULPROG : hsqcedetgpsisp2.3

number of scans : 8 scans

instrument : Avance NEO

Name : TopSpin

Data-Source Molecule ID Data-Source
2832827 pubchem
Molport-002-135-294 molport
The data in this table is sourced from UniChem at EBI.