Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C5H8O2S.Li/c6-8(7)5-1-4(2-5)3-5;/h4H,1-3H2,(H,6,7);/q;+1/p-1 |
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SMILES | [O-]S(=O)C12CC(C1)C2.[Li+] |
InChI Key | QTLFBDINSWAZHO-UHFFFAOYSA-M |
Molecular Formula | C5H7LiO2S |
Exact Mass | 138.114 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/QTLFBDINSWAZHO-UHFFFAOYSA-M/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QTLFBDINSWAZHO-UHFFFAOYSA-M/CHMO0001146 |
Version | |
Author | Lukas Langer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:36:48.411407 |
MetadataModified | 2024-09-08T01:36:48.411412 |
MetadataPublished | 2023-09-19 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168499170 | PubChem |
The data in this table is sourced from UniChem at EBI. |