Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3
SMILES CC1=Nc2c(C1(C)C)cccc2
InChI Key FLHJIAFUWHPJRT-UHFFFAOYSA-N
Molecular Formula C11H13N
Exact Mass 159.228 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FLHJIAFUWHPJRT-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FLHJIAFUWHPJRT-UHFFFAOYSA-N/CHMO0000593
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:51:18.297005
MetadataModified 2024-09-07T16:12:51.385717
MetadataPublished 2019-11-12
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
595114 eMolecules
15120277 PubChem: Thomson Pharma
SCHEMBL101153 SureChEMBL
1640-39-7 ACToR
15427 PubChem
CB6745688 ChemicalBook
219336 Brenda
ZINC000003860805 ZINC
MCULE-6687462244 Mcule
CHEMBL2393311 ChEMBL
221191 Brenda
DTXSID9049403 EPA CompTox Dashboard
J112.922H Nikkaji
The data in this table is sourced from UniChem at EBI.