Dataset

mass spectrometry (MS)

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(cc1)c1cc2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(nc2cc1c1ccc(cc1)C(=O)OC)C.[Br-]
InChI Key	NIQVJDCFQXEZFB-UHFFFAOYSA-M
Molecular Formula	C44H36BrN2O4P
Exact Mass	767.645 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NIQVJDCFQXEZFB-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NIQVJDCFQXEZFB-UHFFFAOYSA-M/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:36:06.993584
MetadataModified	2024-09-07T22:11:54.208623
MetadataPublished	2022-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163197177	PubChem
The data in this table is sourced from UniChem at EBI.