Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C18H15ClO/c1-12-15(9-10-18(12)20)17-8-3-2-7-16(17)13-5-4-6-14(19)11-13/h2-8,11H,9-10H2,1H3
SMILES Clc1cccc(c1)c1ccccc1C1=C(C)C(=O)CC1
InChI Key RALWVBCQJQKZPU-UHFFFAOYSA-N
Exact Mass 282.764 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RALWVBCQJQKZPU-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RALWVBCQJQKZPU-UHFFFAOYSA-N/CHMO0000595
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-24
Related Molecule
  • nfdi4chem-mol8124 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    177693384 pubchem
    The data in this table is sourced from UniChem at EBI.