Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C14H14N2O4S/c1-11-2-8-14(9-3-11)21(19,20)15-10-12-4-6-13(7-5-12)16(17)18/h2-9,15H,10H2,1H3 |
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SMILES | Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)[N+](=O)[O-] |
InChI Key | POBGMWYJYMNCHQ-UHFFFAOYSA-N |
Molecular Formula | C14H14N2O4S |
Exact Mass | 306.337 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/POBGMWYJYMNCHQ-UHFFFAOYSA-N/IR |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/POBGMWYJYMNCHQ-UHFFFAOYSA-N/IR |
Version | |
Author | Tim Wezeman |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T00:05:24.497560 |
MetadataModified | 2024-09-07T13:34:05.101250 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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49752030 | PubChem: Thomson Pharma |
308626 | PubChem |
MCULE-7574191479 | Mcule |
The data in this table is sourced from UniChem at EBI. |