Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C16H12F4S2/c17-13-11-7-21-5-9-1-2-10(4-3-9)6-22-8-12(15(13)19)16(20)14(11)18/h1-4H,5-8H2 |
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SMILES | Fc1c(F)c2CSCc3ccc(CSCc1c(c2F)F)cc3 |
InChI Key | XBJZUTIEBXAWAP-UHFFFAOYSA-N |
Molecular Formula | C16H12F4S2 |
Exact Mass | 344.390 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XBJZUTIEBXAWAP-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XBJZUTIEBXAWAP-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Christoph Zippel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T01:56:36.957532 |
MetadataModified | 2024-09-07T16:19:52.646689 |
MetadataPublished | 2020-01-02 |
Field | Value |
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Measurement Technique | fast-atom bombardment mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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13542015 | PubChem |
The data in this table is sourced from UniChem at EBI. |