Dataset

3,3-DIMETHYL-11-O-TOLYL-2,3,4,5-TETRAHYDRO-1H-DIBENZO(B,E)(1,4)-DIAZEPIN-1-ONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005149 contains the MS mass spectrum of 3,3-DIMETHYL-11-O-TOLYL-2,3,4,5-TETRAHYDRO-1H-DIBENZO(B,E)(1,4)-DIAZEPIN-1-ONE with the InChIkey NDVVNGHRFCMKLV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H22N2O/c1-14-8-4-5-9-15(14)21-20-18(12-22(2,3)13-19(20)25)23-16-10-6-7-11-17(16)24-21/h4-11,23H,12-13H2,1-3H3
SMILES Cc(c4)c(ccc4)C(=N1)C(C(=O)3)=C(CC(C)(C)C3)Nc(c2)c(ccc2)1
InChI Key NDVVNGHRFCMKLV-UHFFFAOYSA-N
Molecular Formula C22H22N2O
Exact Mass 330.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005149
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J187.487J Nikkaji
    13499133 PubChem
    The data in this table is sourced from UniChem at EBI.