Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
SMILES COC(=O)CCC(=O)OC
InChI Key MUXOBHXGJLMRAB-UHFFFAOYSA-N
Exact Mass 146.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MUXOBHXGJLMRAB-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/MUXOBHXGJLMRAB-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:20:47.052071
MetadataModified 2024-09-23T09:25:46.197948
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
temperature : 298.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

Title : GH_106-65-0

Date : 20240730

Starting time : 9.03 h

instrument : AVIII300

label : GEH-77

id : 119868

Solvent used for referencing : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
478821 eMolecules
MCULE-1133524094 Mcule
10016853 NMRShiftDB
9HB PDBe
CB9230712 ChemicalBook
HMDB0033837 Human Metabolome Database
15847 Brenda
16569 Brenda
166888 Brenda
7820 PubChem
914I2127JR FDA SRS
15165145 PubChem: Thomson Pharma
106-65-0 ACToR
CHEMBL556489 ChEMBL
DIMETHYL SUCCINATE rxnorm
165393 ChEBI
DTXSID5025152 EPA CompTox Dashboard
VEBYEG CCDC
SCHEMBL10213 SureChEMBL
J3.244A Nikkaji
ZINC000001683870 ZINC
The data in this table is sourced from UniChem at EBI.