Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H12ClNO2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
SMILES ClCC(=O)Nc1cc(C)ccc1OC
InChI Key ZVVBFKIUBBHWEV-UHFFFAOYSA-N
Molecular Formula C10H12ClNO2
Exact Mass 213.661 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZVVBFKIUBBHWEV-UHFFFAOYSA-N/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/ZVVBFKIUBBHWEV-UHFFFAOYSA-N/NMR/13C/CDCl3/75
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:41:31.045780
MetadataModified 2024-09-07T12:04:31.735778
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
440153 eMolecules
736991 PubChem
SCHEMBL10684407 SureChEMBL
MCULE-4578632211 Mcule
MolPort-000-871-669 MolPort
DTXSID30353157 EPA CompTox Dashboard
ZINC000000163409 ZINC
The data in this table is sourced from UniChem at EBI.