Dataset

electrospray ionisation quadrupole detection (ESI Q Trap)

Chemical Info

InChI	InChI=1S/C48H42N2O4/c1-45(2)37-13-5-9-17-41(37)49(42-18-10-6-14-38(42)45)31-21-23-35-33(29-31)34-30-32(22-24-36(34)48(53-27-28-54-48)47(35)51-25-26-52-47)50-43-19-11-7-15-39(43)46(3,4)40-16-8-12-20-44(40)50/h5-24,29-30H,25-28H2,1-4H3
SMILES	CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(-c3cc(ccc3C3(C42OCCO4)OCCO3)N2c3ccccc3C(c3c2cccc3)(C)C)c1
InChI Key	CVZWWCQBQXVYQE-UHFFFAOYSA-N
Molecular Formula	C48H42N2O4
Exact Mass	710.858 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CVZWWCQBQXVYQE-UHFFFAOYSA-N/CHMO0002337
License URL
Source	https://www.chemotion-repository.net/inchikey/CVZWWCQBQXVYQE-UHFFFAOYSA-N/CHMO0002337
Version
Author	Jason Hofmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:44:55.563980
MetadataModified	2025-01-29T16:37:25.502123
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.