Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+ |
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SMILES | OC(=O)/C=C/c1ccc2c(c1)cccc2 |
InChI Key | KWGPBDBAAXYWOJ-SOFGYWHQSA-N |
Molecular Formula | C13H10O2 |
Exact Mass | 198.217 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/KWGPBDBAAXYWOJ-SOFGYWHQSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KWGPBDBAAXYWOJ-SOFGYWHQSA-N/CHMO0000470 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-01-29T10:10:26.968119 |
MetadataModified | 2025-01-29T16:03:53.425724 |
MetadataPublished | 2024-10-15 |
Related Molecule |