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/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
SMILES CCCCC(=O)O
InChI Key NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Molecular Formula C5H10O2
Exact Mass 102.132 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NQPDZGIKBAWPEJ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/NQPDZGIKBAWPEJ-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:24:06.290064
MetadataModified 2024-09-08T04:24:06.290070
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
PD008360 ProbesDrugs
GZK92PJM7B FDA SRS
7991 PubChem
109-52-4 ACToR
MCULE-2333640078 Mcule
8237 NMRShiftDB
SCHEMBL5886 SureChEMBL
VALRAC CCDC
J1.504K Nikkaji
VALERIC ACID rxnorm
LMFA01010005 LipidMaps
DTXSID7021655 EPA CompTox Dashboard
4577 Brenda
1541 Brenda
2040 Brenda
31679 Brenda
12653 Brenda
101794 Brenda
CB2309387 ChemicalBook
MTBLC17418 Metabolights
HMDB0000892 Human Metabolome Database
ZINC000031500905 ZINC
14818108 PubChem: Thomson Pharma
101795 Brenda
DB02406 DrugBank
12618 Brenda
1061 Guide to Pharmacology
CHEMBL268736 ChEMBL
C00803 KEGG Ligand
17418 ChEBI
LEA PDBe
478562 eMolecules
The data in this table is sourced from UniChem at EBI.