Dataset
distortionless enhancement with polarization transfer (DEPT)
Chemical Info
InChI | InChI=1S/C11H14O2/c1-7(2)9-5-4-8(3)10(6-12)11(9)13/h4-7,13H,1-3H3 |
---|---|
SMILES | O=Cc1c(C)ccc(c1O)C(C)C |
InChI Key | KBHBGCGYQBSXRO-UHFFFAOYSA-N |
Molecular Formula | C11H14O2 |
Exact Mass | 178.228 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/KBHBGCGYQBSXRO-UHFFFAOYSA-N/CHMO0000596 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KBHBGCGYQBSXRO-UHFFFAOYSA-N/CHMO0000596 |
Version | |
Author | Stefan Bräse |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T02:41:50.616265 |
MetadataModified | 2024-09-07T17:19:37.561589 |
MetadataPublished | 2020-03-09 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
ZINC000037628596 | ZINC |
DTXSID80497191 | EPA CompTox Dashboard |
SCHEMBL312065 | SureChEMBL |
J1.652.344E | Nikkaji |
12414508 | PubChem |
The data in this table is sourced from UniChem at EBI. |