Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C21H22OS2/c1-2-18(21-23-13-14-24-21)19(16-9-5-3-6-10-16)15-20(22)17-11-7-4-8-12-17/h3-12,19H,2,13-15H2,1H3/t19-/m0/s1 |
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SMILES | CCC(=C1SCCS1)[C@H](c1ccccc1)CC(=O)c1ccccc1 |
InChI Key | FFNUZHPVLBYLFF-IBGZPJMESA-N |
Molecular Formula | C21H22OS2 |
Exact Mass | 354.529 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/FFNUZHPVLBYLFF-IBGZPJMESA-N/Mass |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FFNUZHPVLBYLFF-IBGZPJMESA-N/Mass |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:26:19.973458 |
MetadataModified | 2024-09-07T14:24:21.072884 |
MetadataPublished | 2018-05-16 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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133083273 | PubChem |
The data in this table is sourced from UniChem at EBI. |