Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C8H7IO3/c1-11-9-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3 |
---|---|
SMILES | CO[I]1OC(=O)c2c1cccc2 |
InChI Key | LUERUKOXOOMVNM-UHFFFAOYSA-N |
Molecular Formula | C8H7IO3 |
Exact Mass | 278.044 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/LUERUKOXOOMVNM-UHFFFAOYSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/LUERUKOXOOMVNM-UHFFFAOYSA-N/CHMO0000480 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:37:36.179500 |
MetadataModified | 2024-09-08T03:37:36.179505 |
MetadataPublished | 2024-05-21 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
36096094 | eMolecules |
13741469 | PubChem |
SCHEMBL12211388 | SureChEMBL |
MXBIOX | CCDC |
J2.478.627G | Nikkaji |
The data in this table is sourced from UniChem at EBI. |