Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C40H40N4.4HI/c1-41-17-9-29(10-18-41)37-25-34-7-8-36-28-39(31-13-21-43(3)22-14-31)35(27-40(36)32-15-23-44(4)24-16-32)6-5-33(37)26-38(34)30-11-19-42(2)20-12-30;;;;/h9-28H,5-8H2,1-4H3;4*1H/q+4;;;;/p-4 |
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SMILES | C[n+]1ccc(cc1)c1cc2CCc3cc(c(CCc1cc2c1cc[n+](cc1)C)cc3c1cc[n+](cc1)C)c1cc[n+](cc1)C.[I-].[I-].[I-].[I-] |
InChI Key | VVMGLLAOFLTNAC-UHFFFAOYSA-J |
Molecular Formula | C40H40I4N4 |
Exact Mass | 1084.390 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/VVMGLLAOFLTNAC-UHFFFAOYSA-J/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/VVMGLLAOFLTNAC-UHFFFAOYSA-J/CHMO0000470 |
Version | |
Author | Yichuan Wang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:07:14.740076 |
MetadataModified | 2024-09-08T04:07:14.740081 |
MetadataPublished | 2024-07-10 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |