Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2
SMILES Cc1ccc(cc1)P(c1ccccn1)c1ccc(cc1)C.Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F.Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F.[Cu]I.[Cu]I
InChI Key WKBJJVSVQXIATD-UHFFFAOYSA-L
Molecular Formula C55H42Cu2F6I2NP3
Exact Mass 1304.741 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WKBJJVSVQXIATD-UHFFFAOYSA-L/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/WKBJJVSVQXIATD-UHFFFAOYSA-L/CHMO0000470
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:08:30.338711
MetadataModified 2024-09-07T19:14:58.284265
MetadataPublished 2020-10-29
Field Value
Measurement Technique mass spectrometry
Measurement Variables