Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H14ClNO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)
SMILES ClCCNC(=O)OC(C)(C)C
InChI Key VACLTXTYDFLHJW-UHFFFAOYSA-N
Molecular Formula C7H14ClNO2
Exact Mass 179.645 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VACLTXTYDFLHJW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VACLTXTYDFLHJW-UHFFFAOYSA-N/CHMO0000593
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-21
Related Molecule
  • tert-butyl N-(2-chloroethyl)carbamate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1531287 surechembl
    3795708 pubchem
    Molport-002-494-465 molport
    The data in this table is sourced from UniChem at EBI.