Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C12H20/c1-2-3-9-12-10-7-5-4-6-8-11-12/h4-5,11H,2-3,6-10H2,1H3/b5-4-,12-11- |
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SMILES | CCCCC1=CCCC=CCC1 |
InChI Key | HGTUPIAWHKDTOB-NHTRZOJKSA-N |
Molecular Formula | C12H20 |
Exact Mass | 164.287 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/HGTUPIAWHKDTOB-NHTRZOJKSA-N/NMR/1H/CDCl3/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/HGTUPIAWHKDTOB-NHTRZOJKSA-N/NMR/1H/CDCl3/400 |
Version | |
Author | Mirja Enders |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T00:04:13.437890 |
MetadataModified | 2024-09-07T13:32:19.913168 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
73427506 | PubChem |
J3.477.157J | Nikkaji |
SCHEMBL15511407 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |