Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3 |
---|---|
SMILES | CC(=O)c1c(O)cccc1O |
InChI Key | YPTJKHVBDCRKNF-UHFFFAOYSA-N |
Exact Mass | 152.147 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/YPTJKHVBDCRKNF-UHFFFAOYSA-N/CHMO0000593 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YPTJKHVBDCRKNF-UHFFFAOYSA-N/CHMO0000593 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:01:31.703871 |
MetadataModified | 2024-09-23T09:20:26.958102 |
MetadataPublished | 2023-12-01 |
Field | Value |
---|---|
Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
|