Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C13H19N5O2/c1-13(2,3)20-12(19)14-10-11(17-8-4-6-15-17)18-9-5-7-16-18/h4-9,11H,10H2,1-3H3,(H,14,19) |
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SMILES | O=C(OC(C)(C)C)NCC(n1cccn1)n1cccn1 |
InChI Key | ZZFUHQXQLNLLCA-UHFFFAOYSA-N |
Molecular Formula | C13H19N5O2 |
Exact Mass | 277.322 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ZZFUHQXQLNLLCA-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZZFUHQXQLNLLCA-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Sonja Herres-Pawlis |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T04:26:42.244964 |
MetadataModified | 2024-09-07T19:38:44.467209 |
MetadataPublished | 2021-04-28 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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155906997 | PubChem |
The data in this table is sourced from UniChem at EBI. |