Dataset

CR-(4A-ALPHA,9A-BETA,1'-ALPHA,7'-ALPHA))-2,3,4A,9A-TETRAHYDRO-4A,9A-DIMETHOXYSPIRO(CYCLOHEPTA(1,4)DIOXINE-7,9'-8'-OXABICYCLO(5.2.0)NONANE); EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010976 contains the MS mass spectrum of CR-(4A-ALPHA,9A-BETA,1'-ALPHA,7'-ALPHA))-2,3,4A,9A-TETRAHYDRO-4A,9A-DIMETHOXYSPIRO(CYCLOHEPTA(1,4)DIOXINE-7,9'-8'-OXABICYCLO(5.2.0)NONANE) with the InChIkey RAJOABBIYPQRAC-MVJTYMMSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H26O5/c1-19-17-10-8-16(14-6-4-3-5-7-15(14)23-16)9-11-18(17,20-2)22-13-12-21-17/h8-11,14-15H,3-7,12-13H2,1-2H3/t14-,15+,17-,18-/m0/s1
SMILES COC(O4)(C=3)C(OC)(OCC4)C=CC(C3)(O1)C([H])(C2)C([H])(CCCC2)1
InChI Key RAJOABBIYPQRAC-MVJTYMMSSA-N
Molecular Formula C18H26O5
Exact Mass 322.178 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-JP010976
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1'S,4aS,7'R,9aS)-4a,9a-dimethoxyspiro[2,3-dihydrocyclohepta[b][1,4]dioxine-7,9'-8-oxabicyclo[5.2.0]nonane]
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101640080 PubChem
    J520.041E Nikkaji
    The data in this table is sourced from UniChem at EBI.