Dataset

mass spectrometry (MS) ([6,7-bis(4-methoxycarbonylphenyl)-3-methylquinoxalin-2-yl]methyl-triphenylphosphanium;bromide)

Chemical Info

InChI	InChI=1S/C44H36N2O4P.BrH/c1-30-42(29-51(35-13-7-4-8-14-35,36-15-9-5-10-16-36)37-17-11-6-12-18-37)46-41-28-39(32-21-25-34(26-22-32)44(48)50-3)38(27-40(41)45-30)31-19-23-33(24-20-31)43(47)49-2;/h4-28H,29H2,1-3H3;1H/q+1;/p-1
SMILES	COC(=O)c1ccc(-c2cc3nc(C)c(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)nc3cc2-c2ccc(C(=O)OC)cc2)cc1.[Br-]
InChI Key	NIQVJDCFQXEZFB-UHFFFAOYSA-M
Molecular Formula	C44H36BrN2O4P
Exact Mass	767.660 g/mol

Data and Resources

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Related Resources

• This dataset related as IsPartOf to https://dx.doi.org/10.14272/NIQVJDCFQXEZFB-UHFFFAOYSA-M.1

Metadata Information

• Additional
• Measurement

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author	Klein, Jérôme
Maintainer	chemotion.net
Language	en
MetadataCreated	2022-10-06T14:14:40.952643
MetadataModified	2022-10-06T14:14:40.952648
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables