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/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)
SMILES NCCCCCCNC(=O)OC(C)(C)C
InChI Key RVZPDKXEHIRFPM-UHFFFAOYSA-N
Molecular Formula C11H24N2O2
Exact Mass 216.320 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RVZPDKXEHIRFPM-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/RVZPDKXEHIRFPM-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:41:18.449014
MetadataModified 2024-09-07T12:58:10.579898
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
530831 eMolecules
ZINC000002168345 ZINC
CB0702254 ChemicalBook
DTXSID70369777 EPA CompTox Dashboard
MCULE-8858735094 Mcule
PD127112 ProbesDrugs
14749012 PubChem: Thomson Pharma
2733170 PubChem
J343.026J Nikkaji
SCHEMBL146037 SureChEMBL
HY-W008296 MedChemExpress
The data in this table is sourced from UniChem at EBI.