Dataset

2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL); EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003557 contains the MS mass spectrum of 2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL) with the InChIkey KGRVJHAUYBGFFP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3
SMILES Cc(c1)cc(C(C)(C)C)c(O)c1Cc(c2)c(O)c(cc(C)2)C(C)(C)C
InChI Key KGRVJHAUYBGFFP-UHFFFAOYSA-N
Molecular Formula C23H32O2
Exact Mass 340.240 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-JP003557
Version
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MetadataPublished 2016-01-19
Related Molecule
  • 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    70108758 NMRShiftDB
    KVM0X4X57B FDA SRS
    14753702 PubChem: Thomson Pharma
    107397-49-9 ACToR
    SCHEMBL34162 SureChEMBL
    119-47-1 ACToR
    505937 eMolecules
    CB8468783 ChemicalBook
    MCULE-8897993815 Mcule
    8398 PubChem
    CHEMBL460648 ChEMBL
    J36.831H Nikkaji
    HMDB0244434 Human Metabolome Database
    DABKUM CCDC
    172336 ChEBI
    50522651 BindingDB
    DTXSID4020870 EPA CompTox Dashboard
    ZINC000001543799 ZINC
    The data in this table is sourced from UniChem at EBI.