Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
InChI | InChI=1S/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H3 |
---|---|
SMILES | COc1ccc(c(c1)C(=O)C)OC |
InChI Key | FAXUIYJKGGUCBO-UHFFFAOYSA-N |
Molecular Formula | C10H12O3 |
Exact Mass | 180.200 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/FAXUIYJKGGUCBO-UHFFFAOYSA-N/CHMO0001150 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FAXUIYJKGGUCBO-UHFFFAOYSA-N/CHMO0001150 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:25:46.275598 |
MetadataModified | 2024-09-08T04:25:46.275603 |
MetadataPublished | 2024-08-07 |
Field | Value |
---|---|
Measurement Technique | 1H–1H correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
536871 | eMolecules |
1201-38-3 | ACToR |
SCHEMBL885028 | SureChEMBL |
15487269 | PubChem: Thomson Pharma |
Y79C66POM1 | FDA SRS |
CB5150014 | ChemicalBook |
MCULE-3800952212 | Mcule |
70991 | PubChem |
20143551 | NMRShiftDB |
DTXSID0061618 | EPA CompTox Dashboard |
J80.091K | Nikkaji |
ZINC000000164090 | ZINC |
The data in this table is sourced from UniChem at EBI. |