Dataset

N-phenyl[(9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.0<2,7>.0<9,14>]hexadec a-2(7),3,5-trien-12-yl)methoxy]carboxamide

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00062 contains the MS2 mass spectrum of N-phenyl[(9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.0.0]hexadec a-2(7),3,5-trien-12-yl)methoxy]carboxamide with the InChIkey UONFBIWUOHBYQS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C25H29NO4/c1-16-13-24(3)21-17(2)25(16,15-29-23(27)26-18-9-5-4-6-10-18)14-28-22(21)19-11-7-8-12-20(19)30-24/h4-12,16-17,21-22H,13-15H2,1-3H3,(H,26,27)
SMILES	CC1CC2(C3C(C1(COC3C4=CC=CC=C4O2)COC(=O)NC5=CC=CC=C5)C)C
InChI Key	UONFBIWUOHBYQS-UHFFFAOYSA-N
Molecular Formula	C25H29NO4
Exact Mass	407.210 g/mol

Data and Resources

N-phenyl[(9,11,13-trimethyl-8,15-dioxatetracycl...HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00062
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:22:24.388573
MetadataModified	2024-01-11T22:22:24.556094
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
1259752	eMolecules
CHEMBL1489432	ChEMBL
MCULE-9879343632	Mcule
2846880	PubChem
SCHEMBL14029277	SureChEMBL
The data in this table is sourced from UniChem at EBI.