Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C26H24N2O4/c1-15-23(27-24(29)16-9-5-4-6-10-16)22-20(13-17(31-2)14-21(22)32-3)26(15)19-12-8-7-11-18(19)25(30)28-26/h4-15,23H,1-3H3,(H,27,29)(H,28,30)/t15-,23-,26+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)C
InChI Key	JGPWTFKOWRDRBE-NQQGWXOOSA-N
Molecular Formula	C26H24N2O4
Exact Mass	428.480 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JGPWTFKOWRDRBE-NQQGWXOOSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/JGPWTFKOWRDRBE-NQQGWXOOSA-N/CHMO0000473
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:09:29.239227
MetadataModified	2024-09-08T02:09:29.239233
MetadataPublished	2023-12-15

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

Data-Source Molecule ID	Data-Source
169452730	PubChem
The data in this table is sourced from UniChem at EBI.