Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
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/1H/CDCl3/300 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZVVBFKIUBBHWEV-UHFFFAOYSA-N/NMR/1H/CDCl3/300 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:41:28.674044 |
MetadataModified | 2024-09-07T12:04:34.841039 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 1H 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. |