Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C106H80N10/c1-61-51-74(64-54-88-102(108-60-64)112-100-72-50-46-68(116-95-41-25-17-33-85(95)106(9,10)86-34-18-26-42-96(86)116)58-78(72)76-56-66(44-48-70(76)98(100)110-88)114-91-37-21-13-29-81(91)104(5,6)82-30-14-22-38-92(82)114)62(2)52-73(61)63-53-87-101(107-59-63)111-99-71-49-45-67(115-93-39-23-15-31-83(93)105(7,8)84-32-16-24-40-94(84)115)57-77(71)75-55-65(43-47-69(75)97(99)109-87)113-89-35-19-11-27-79(89)103(3,4)80-28-12-20-36-90(80)113/h11-60H,1-10H3
SMILES	Cc1cc(c(cc1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key	DMZUOABUOWFVOT-UHFFFAOYSA-N
Molecular Formula	C106H80N10
Exact Mass	1493.836 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/DMZUOABUOWFVOT-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/DMZUOABUOWFVOT-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jason Hofmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:41:46.240094
MetadataModified	2025-01-29T16:34:10.447793
MetadataPublished	2024-11-25

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 297.6 K PULPROG : zg30 number of scans : 16 scans title : Sep11-2024 date : 20240911 starting time : 11.11 h instrument : Avance NEO label : JSH-221 id : 320803 Solvent : chloroform-D1 (CDCl3)

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