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/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
SMILES NCc1ccc(cc1)OC
InChI Key IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDPURXSQCKYKIJ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/IDPURXSQCKYKIJ-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:29:32.270475
MetadataModified 2024-09-08T04:29:32.270481
MetadataPublished 2024-08-09
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MolPort-000-139-922 MolPort
J101.237A Nikkaji
50408784 BindingDB
MCULE-1657332685 Mcule
20032298 NMRShiftDB
75452 PubChem
ZINC000000157596 ZINC
DTXSID2062371 EPA CompTox Dashboard
49837 ChEBI
15120013 PubChem: Thomson Pharma
SCHEMBL8755 SureChEMBL
2393-23-9 ACToR
62257 Brenda
CB8326324 ChemicalBook
15412 Brenda
PZM PDBe
CHEMBL12720 ChEMBL
526905 eMolecules
The data in this table is sourced from UniChem at EBI.