Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C26H24N2O3/c1-3-18-23(27-25(29)16-9-5-4-6-10-16)21-15-17(31-2)13-14-22(21)28-24(18)19-11-7-8-12-20(19)26(28)30/h4-15,18,23-24H,3H2,1-2H3,(H,27,29)/t18-,23-,24-/m1/s1
SMILES	COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1)[C@H]([C@H]1N2C(=O)c2c1cccc2)CC
InChI Key	FUOUKDJVZAOCOJ-DQMJNTIXSA-N
Molecular Formula	C26H24N2O3
Exact Mass	412.480 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FUOUKDJVZAOCOJ-DQMJNTIXSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/FUOUKDJVZAOCOJ-DQMJNTIXSA-N/CHMO0000473
Version
Author	Harald Kelm
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:00:58.800828
MetadataModified	2024-09-08T01:00:58.800835
MetadataPublished	2023-05-22

Field	Value
Measurement Technique	atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168059117	PubChem
The data in this table is sourced from UniChem at EBI.