Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C108H84N10/c1-61-62(2)98(66-54-88-104(110-60-66)114-102-74-52-48-70(118-95-43-27-19-35-85(95)108(11,12)86-36-20-28-44-96(86)118)58-78(74)76-56-68(46-50-72(76)100(102)112-88)116-91-39-23-15-31-81(91)106(7,8)82-32-16-24-40-92(82)116)64(4)63(3)97(61)65-53-87-103(109-59-65)113-101-73-51-47-69(117-93-41-25-17-33-83(93)107(9,10)84-34-18-26-42-94(84)117)57-77(73)75-55-67(45-49-71(75)99(101)111-87)115-89-37-21-13-29-79(89)105(5,6)80-30-14-22-38-90(80)115/h13-60H,1-12H3
SMILES	Cc1c(C)c(c2cnc3c(c2)nc2c(n3)c3ccc(cc3c3c2ccc(c3)N2c3ccccc3C(c3c2cccc3)(C)C)N2c3ccccc3C(c3c2cccc3)(C)C)c(c(c1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)C
InChI Key	VXSJUXHHISIOCI-UHFFFAOYSA-N
Molecular Formula	C108H84N10
Exact Mass	1521.890 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/VXSJUXHHISIOCI-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/VXSJUXHHISIOCI-UHFFFAOYSA-N/CHMO0000599
Version
Author	Jason Hofmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:42:06.611420
MetadataModified	2025-01-29T16:34:33.069385
MetadataPublished	2024-11-25

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : cosygpppqf number of scans : 1 scans Title : Aug27-2024 Date : 20240827 Starting time : 11.25 h instrument : Avance NEO label : JSH-90 id : 123438 Solvent used for referencing : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.