Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C28H28N2.2HI/c1-29-15-11-25(12-16-29)27-19-21-3-7-23(27)9-5-22-4-8-24(10-6-21)28(20-22)26-13-17-30(2)18-14-26;;/h3-4,7-8,11-20H,5-6,9-10H2,1-2H3;2*1H/q+2;;/p-2 |
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SMILES | C[n+]1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3c1cc[n+](cc1)C.[I-].[I-] |
InChI Key | PNLSHCRELKSQPL-UHFFFAOYSA-L |
Molecular Formula | C28H28I2N2 |
Exact Mass | 646.344 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/PNLSHCRELKSQPL-UHFFFAOYSA-L/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PNLSHCRELKSQPL-UHFFFAOYSA-L/CHMO0000470 |
Version | |
Author | Yichuan Wang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:11:03.599086 |
MetadataModified | 2024-09-08T04:11:03.599091 |
MetadataPublished | 2024-07-10 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |