Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C10H13N3/c1-10(2,3)8-4-6-9(7-5-8)12-13-11/h4-7H,1-3H3 |
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SMILES | CC(c1ccc(cc1)N=[N+]=[N-])(C)C |
InChI Key | FPTZBVJQJYUZKV-UHFFFAOYSA-N |
Molecular Formula | C10H13N3 |
Exact Mass | 175.230 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000480 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:48:10.727372 |
MetadataModified | 2024-09-08T03:48:10.727377 |
MetadataPublished | 2024-05-21 |
Field | Value |
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Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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J2.558.102D | Nikkaji |
SCHEMBL243077 | SureChEMBL |
20336103 | PubChem |
The data in this table is sourced from UniChem at EBI. |