Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C8H7ClINO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12) |
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SMILES | ClCC(=O)Nc1ccc(cc1)I |
InChI Key | WIUVQCIRRAAPAX-UHFFFAOYSA-N |
Molecular Formula | C8H7ClINO |
Exact Mass | 295.505 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/WIUVQCIRRAAPAX-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/WIUVQCIRRAAPAX-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:41:40.542093 |
MetadataModified | 2024-09-07T12:04:49.364900 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |