Dataset

electrospray ionisation quadrupole detection (ESI Q Trap)

Chemical Info

InChI	InChI=1S/C49H37N5/c1-48(2)36-14-5-9-19-41(36)53(42-20-10-6-15-37(42)48)30-23-25-32-34(28-30)35-29-31(24-26-33(35)46-45(32)51-40-18-13-27-50-47(40)52-46)54-43-21-11-7-16-38(43)49(3,4)39-17-8-12-22-44(39)54/h5-29H,1-4H3
SMILES	CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cc(ccc1c1c2nc2ncccc2n1)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key	YUGQZLIRQPRKQH-UHFFFAOYSA-N
Molecular Formula	C49H37N5
Exact Mass	695.852 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YUGQZLIRQPRKQH-UHFFFAOYSA-N/CHMO0002337
License URL
Source	https://www.chemotion-repository.net/inchikey/YUGQZLIRQPRKQH-UHFFFAOYSA-N/CHMO0002337
Version
Author	Jason Hofmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:43:11.624939
MetadataModified	2025-01-29T16:35:42.896428
MetadataPublished	2024-11-25

Field	Value
Measurement Technique	electrospray ionisation quadrupole detection
Measurement Variables

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