Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C10H10O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h2-6H,1,7H2,(H,11,12) |
---|---|
SMILES | C=CCOc1ccc(cc1)C(=O)O |
InChI Key | DYDWKSVZHZNBLO-UHFFFAOYSA-N |
Molecular Formula | C10H10O3 |
Exact Mass | 178.185 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/DYDWKSVZHZNBLO-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DYDWKSVZHZNBLO-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
Version | |
Author | Nicole Jung |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T00:03:39.225327 |
MetadataModified | 2024-09-07T13:31:27.901579 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
838063 | eMolecules |
16423071 | PubChem: Thomson Pharma |
SCHEMBL1489146 | SureChEMBL |
ZINC000002022960 | ZINC |
DTXSID90332726 | EPA CompTox Dashboard |
TICLAU | CCDC |
J671.651B | Nikkaji |
460690 | PubChem |
MCULE-8973770870 | Mcule |
The data in this table is sourced from UniChem at EBI. |