Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C15H14Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h6-7H,3-5H2,1-2H3 |
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SMILES | Clc1sc(c(c1)C1=C(CCC1)c1cc(sc1C)Cl)C |
InChI Key | DGZQNPCSQDROIH-UHFFFAOYSA-N |
Molecular Formula | C15H14Cl2S2 |
Exact Mass | 329.308 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/DGZQNPCSQDROIH-UHFFFAOYSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DGZQNPCSQDROIH-UHFFFAOYSA-N/CHMO0000480 |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T00:48:23.910568 |
MetadataModified | 2024-09-08T00:48:23.910573 |
MetadataPublished | 2023-03-23 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
16196056 | PubChem: Thomson Pharma |
36560254 | eMolecules |
CB53155953 | ChemicalBook |
ZINC000038275257 | ZINC |
11121030 | PubChem |
PAMWUW | CCDC |
J1.018.049J | Nikkaji |
SCHEMBL4420882 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |