Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C64H32F15N7O/c65-58(66,59(67,68)60(69,70)61(71,72)62(73,74)63(75,76)64(77,78)79)57-82-81-56(87-57)51-52(83-43-25-9-1-17-34(43)35-18-2-10-26-44(35)83)42(33-80)53(84-45-27-11-3-19-36(45)37-20-4-12-28-46(37)84)55(86-49-31-15-7-23-40(49)41-24-8-16-32-50(41)86)54(51)85-47-29-13-5-21-38(47)39-22-6-14-30-48(39)85/h1-32H
SMILES	N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	KPWQQWDWVILYLB-UHFFFAOYSA-N
Molecular Formula	C64H32F15N7O
Exact Mass	1199.961 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/KPWQQWDWVILYLB-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KPWQQWDWVILYLB-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:59:44.262103
MetadataModified	2024-09-07T16:24:35.551685
MetadataPublished	2020-02-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145915830	PubChem
The data in this table is sourced from UniChem at EBI.