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/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
SMILES CC(c1ccc(cc1)N)C
InChI Key LRTFPLFDLJYEKT-UHFFFAOYSA-N
Molecular Formula C9H13N
Exact Mass 135.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRTFPLFDLJYEKT-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LRTFPLFDLJYEKT-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:18:26.127544
MetadataModified 2025-01-29T16:11:34.867534
MetadataPublished 2024-10-31
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
7464 PubChem
15016624 PubChem: Thomson Pharma
SCHEMBL5955 SureChEMBL
0D54T7V7XL FDA SRS
99-88-7 ACToR
PD008541 ProbesDrugs
485432 eMolecules
MCULE-2931681430 Mcule
43405 ChEBI
20055894 NMRShiftDB
MTBLC43405 Metabolights
HMDB0062481 Human Metabolome Database
ISO PDBe
DB02114 DrugBank
J11.624F Nikkaji
DTXSID20243932 EPA CompTox Dashboard
ZINC000001683362 ZINC
CB0466475 ChemicalBook
The data in this table is sourced from UniChem at EBI.