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/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
SMILES Cc1ccc(c(c1)O)N
InChI Key HCPJEHJGFKWRFM-UHFFFAOYSA-N
Molecular Formula C7H9NO
Exact Mass 123.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HCPJEHJGFKWRFM-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/HCPJEHJGFKWRFM-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:26:57.010285
MetadataModified 2024-09-08T04:26:57.010291
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
481965 eMolecules
15321292 PubChem: Thomson Pharma
QCG4ES2A26 FDA SRS
2835-98-5 ACToR
ZINC000000388270 ZINC
DTXSID20182594 EPA CompTox Dashboard
52290 Brenda
CB8116646 ChemicalBook
MASZOW CCDC
76082 PubChem
20040392 NMRShiftDB
SCHEMBL33821 SureChEMBL
MCULE-9380082051 Mcule
J13.777D Nikkaji
The data in this table is sourced from UniChem at EBI.