Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C65H41N7O3/c1-73-56-36-19-37-57(74-2)58(56)64-67-68-65(75-64)59-60(69-48-28-11-3-20-39(48)40-21-4-12-29-49(40)69)47(38-66)61(70-50-30-13-5-22-41(50)42-23-6-14-31-51(42)70)63(72-54-34-17-9-26-45(54)46-27-10-18-35-55(46)72)62(59)71-52-32-15-7-24-43(52)44-25-8-16-33-53(44)71/h3-37H,1-2H3
SMILES	COc1cccc(c1c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)OC
InChI Key	PHLLCTCFMJCYOP-UHFFFAOYSA-N
Molecular Formula	C65H41N7O3
Exact Mass	968.066 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/PHLLCTCFMJCYOP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PHLLCTCFMJCYOP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:58:30.631847
MetadataModified	2024-09-07T16:22:43.922217
MetadataPublished	2020-01-18

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145864156	PubChem
The data in this table is sourced from UniChem at EBI.