Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C17H22N6/c1-13(2)23(14(3)4)21-20-17-16(10-18)11-19-22(17)12-15-8-6-5-7-9-15/h5-9,11,13-14H,12H2,1-4H3/b21-20+ |
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SMILES | CC(N(C(C)C)/N=N/c1n(ncc1C#N)Cc1ccccc1)C |
InChI Key | AQYSAXXLCHFEGV-QZQOTICOSA-N |
Molecular Formula | C17H22N6 |
Exact Mass | 310.397 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/AQYSAXXLCHFEGV-QZQOTICOSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/AQYSAXXLCHFEGV-QZQOTICOSA-N/CHMO0000480 |
Version | |
Author | Nicolai Wippert |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T04:56:36.182035 |
MetadataModified | 2024-09-07T20:16:44.811113 |
MetadataPublished | 2021-07-11 |
Field | Value |
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Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
155928578 | PubChem |
The data in this table is sourced from UniChem at EBI. |