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/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H
SMILES NCC(=O)OC(C)(C)C.Cl
InChI Key OSWULUXZFOQIRU-UHFFFAOYSA-N
Molecular Formula C6H14ClNO2
Exact Mass 167.634 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OSWULUXZFOQIRU-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/OSWULUXZFOQIRU-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:21:01.687817
MetadataModified 2024-09-08T04:21:01.687823
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
500232 eMolecules
16166527 PubChem: Thomson Pharma
16361608 PubChem: Thomson Pharma
CB4122719 ChemicalBook
DTXSID50369336 EPA CompTox Dashboard
SCHEMBL336665 SureChEMBL
2725036 PubChem
MCULE-6386011239 Mcule
11095016 PubChem
24756880 eMolecules
The data in this table is sourced from UniChem at EBI.