Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C44H32N2O4/c1-47-39-24-22-31(45-35-14-3-7-18-41(35)49-42-19-8-4-15-36(42)45)27-33(39)29-12-11-13-30(26-29)34-28-32(23-25-40(34)48-2)46-37-16-5-9-20-43(37)50-44-21-10-6-17-38(44)46/h3-28H,1-2H3
SMILES	COc1ccc(cc1c1cccc(c1)c1cc(ccc1OC)N1c2ccccc2Oc2c1cccc2)N1c2ccccc2Oc2c1cccc2
InChI Key	NFNPGGQEMATDEF-UHFFFAOYSA-N
Molecular Formula	C44H32N2O4
Exact Mass	652.736 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/NFNPGGQEMATDEF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NFNPGGQEMATDEF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Zhen Zhang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:54:29.132045
MetadataModified	2024-09-07T18:57:14.564553
MetadataPublished	2020-10-26
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
154723621	PubChem
The data in this table is sourced from UniChem at EBI.