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/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

Metadata Information

Field Value
DOI 10.14272/YNANGXWUZWWFKX-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/YNANGXWUZWWFKX-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 : Apr22-2025

date : 20250423

starting time : 0.05 h

label : AVC-593

id : 320550

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
No additional information available for this Dataset.