Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3 |
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SMILES | C[n+]1ccc(cc1)c1cc2CCc3ccc(CCc1cc2c1cc[n+](cc1)C)c(c3)c1cc[n+](cc1)C.[I-].[I-].[I-] |
InChI Key | JOPKLEIRDAALPY-UHFFFAOYSA-K |
Molecular Formula | C34H34I3N3 |
Exact Mass | 865.367 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/JOPKLEIRDAALPY-UHFFFAOYSA-K/CHMO0000470.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JOPKLEIRDAALPY-UHFFFAOYSA-K/CHMO0000470.1 |
Version | |
Author | Yichuan Wang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:07:07.865573 |
MetadataModified | 2024-09-08T04:07:07.865579 |
MetadataPublished | 2024-07-10 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |