Dataset
high-performance liquid chromatography-mass spectrometry (HPLC-MS)
Chemical Info
InChI | InChI=1S/C12H12N2O3S/c1-3-17-11-8(2)18-12(13-11)9-5-4-6-10(7-9)14(15)16/h4-7H,3H2,1-2H3 |
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SMILES | CCOc1nc(sc1C)c1cccc(c1)[N+](=O)[O-] |
InChI Key | ONTUWPYKFSIHQE-UHFFFAOYSA-N |
Molecular Formula | C12H12N2O3S |
Exact Mass | 264.300 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ONTUWPYKFSIHQE-UHFFFAOYSA-N/CHMO0000796 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ONTUWPYKFSIHQE-UHFFFAOYSA-N/CHMO0000796 |
Version | |
Author | Eric Täuscher |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:05:39.055536 |
MetadataModified | 2024-09-08T01:05:39.055541 |
MetadataPublished | 2023-07-18 |
Field | Value |
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Measurement Technique | high-performance liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168430088 | PubChem |
The data in this table is sourced from UniChem at EBI. |