Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C30H18O9/c31-13-22-25(16-1-7-19(8-2-16)28(34)35)23(14-32)27(18-5-11-21(12-6-18)30(38)39)24(15-33)26(22)17-3-9-20(10-4-17)29(36)37/h1-15H,(H,34,35)(H,36,37)(H,38,39)
SMILES O=Cc1c(c2ccc(cc2)C(=O)O)c(C=O)c(c(c1c1ccc(cc1)C(=O)O)C=O)c1ccc(cc1)C(=O)O
InChI Key OCNLXLJLHXKFPZ-UHFFFAOYSA-N
Molecular Formula C30H18O9
Exact Mass 522.459 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OCNLXLJLHXKFPZ-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/OCNLXLJLHXKFPZ-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:28:50.965861
MetadataModified 2024-09-07T20:58:36.959736
MetadataPublished 2022-01-08
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
162393339 PubChem
The data in this table is sourced from UniChem at EBI.