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; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81832 contains the MS 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 Information

molecular Image
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

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-BML81832
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (9,11,13-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl)methyl N-phenylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1489432 chembl
    14029277 surechembl
    16395816 pubchem
    2846880 pubchem
    Molport-001-942-641 molport
    The data in this table is sourced from UniChem at EBI.