Dataset
electrospray ionisation quadrupole detection (ESI Q Trap)
Chemical Info
InChI | InChI=1S/C36H28OP2.C16H11N5.BF4.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-6-12(7-3-1)15-11-21(20-19-15)16-10-17-13-8-4-5-9-14(13)18-16;2-1(3,4)5;/h1-28H;1-11H;;/q;;-1;+1 |
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SMILES | c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2.F[B-](F)(F)F.[Cu+] |
InChI Key | CZVRMXJCYPWDQS-UHFFFAOYSA-N |
Molecular Formula | C52H39BCuF4N5OP2 |
Exact Mass | 962.197 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/CZVRMXJCYPWDQS-UHFFFAOYSA-N/CHMO0002337 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CZVRMXJCYPWDQS-UHFFFAOYSA-N/CHMO0002337 |
Version | |
Author | Olaf Fuhr |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:04:07.486064 |
MetadataModified | 2024-09-08T04:04:07.486069 |
MetadataPublished | 2024-07-05 |
Field | Value |
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Measurement Technique | electrospray ionisation quadrupole detection |
Measurement Variables |