Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C72H32F30N8O2/c73-59(74,61(77,78)63(81,82)65(85,86)67(89,90)69(93,94)71(97,98)99)57-105-103-55(111-57)49-51(107-41-25-9-1-17-33(41)34-18-2-10-26-42(34)107)50(56-104-106-58(112-56)60(75,76)62(79,80)64(83,84)66(87,88)68(91,92)70(95,96)72(100,101)102)53(109-45-29-13-5-21-37(45)38-22-6-14-30-46(38)109)54(110-47-31-15-7-23-39(47)40-24-8-16-32-48(40)110)52(49)108-43-27-11-3-19-35(43)36-20-4-12-28-44(36)108/h1-32H
SMILES	FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nnc(o1)c1c(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)F
InChI Key	QPDCTMHEKHWBQO-UHFFFAOYSA-N
Molecular Formula	C72H32F30N8O2
Exact Mass	1611.029 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QPDCTMHEKHWBQO-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/QPDCTMHEKHWBQO-UHFFFAOYSA-N/Mass
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:44:22.021061
MetadataModified	2024-09-07T14:35:34.522755
MetadataPublished	2018-12-04

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
135121347	PubChem
The data in this table is sourced from UniChem at EBI.