Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C13H13N5O2/c1-2-20-13(19)11-9-18(16-12(11)15-17-14)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3 |
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SMILES | CCOC(=O)c1cn(nc1N=[N+]=[N-])Cc1ccccc1 |
InChI Key | KCAXRYJMUFAPLD-UHFFFAOYSA-N |
Molecular Formula | C13H13N5O2 |
Exact Mass | 271.275 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/KCAXRYJMUFAPLD-UHFFFAOYSA-N/CHMO0000593 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KCAXRYJMUFAPLD-UHFFFAOYSA-N/CHMO0000593 |
Version | |
Author | Nicolai Wippert |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:01:52.092408 |
MetadataModified | 2024-09-08T03:01:52.092412 |
MetadataPublished | 2024-02-14 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |