Dataset

mass spectrometry (MS)

Chemical Information

InChI	InChI=1S/C42H42N2O4/c1-41(2,3)47-39(45)43-37-23-13-29(14-24-37)7-21-35-27-31-9-17-33(35)19-11-32-10-18-34(20-12-31)36(28-32)22-8-30-15-25-38(26-16-30)44-40(46)48-42(4,5)6/h9-10,13-18,23-28H,11-12,19-20H2,1-6H3,(H,43,45)(H,44,46)
SMILES	O=C(OC(C)(C)C)Nc1ccc(cc1)C#Cc1cc2CCc3ccc(CCc1cc2)cc3C#Cc1ccc(cc1)NC(=O)OC(C)(C)C
InChI Key	NDUGTGLDAZLQQQ-UHFFFAOYSA-N
Exact Mass	638.794 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NDUGTGLDAZLQQQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NDUGTGLDAZLQQQ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-03-23
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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