Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C22H19NO4/c1-26-21(24)16-7-3-14(4-8-16)18-11-12-19(20(23)13-18)15-5-9-17(10-6-15)22(25)27-2/h3-13H,23H2,1-2H3
SMILES	COC(=O)c1ccc(cc1)c1ccc(c(c1)N)c1ccc(cc1)C(=O)OC
InChI Key	WYBXIMMFDVNQOV-UHFFFAOYSA-N
Molecular Formula	C22H19NO4
Exact Mass	361.391 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WYBXIMMFDVNQOV-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/WYBXIMMFDVNQOV-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:23:27.974142
MetadataModified	2024-09-07T18:16:30.453860
MetadataPublished	2020-07-12

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL16712674	SureChEMBL
CB04673824	ChemicalBook
118072190	PubChem
The data in this table is sourced from UniChem at EBI.