Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H38O12/c26-24-21-25(27)37-20-16-33-12-8-29-6-10-31-14-18-35-23-4-2-1-3-22(23)34-17-13-30-9-5-28-7-11-32-15-19-36-24/h1-4H,5-21H2
SMILES O=C1OCCOCCOCCOCCOc2ccccc2OCCOCCOCCOCCOC(=O)C1
InChI Key HQURJGHXQTWSOQ-UHFFFAOYSA-N
Molecular Formula C25H38O12
Exact Mass 530.562 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQURJGHXQTWSOQ-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/HQURJGHXQTWSOQ-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:42:19.687874
MetadataModified 2024-09-07T12:06:26.613538
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15254794 PubChem
The data in this table is sourced from UniChem at EBI.