Dataset

EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000322 contains the MS mass spectrum of EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL with the InChIkey DTGKSKDOIYIVQL-VWHDNNRLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10+/m1/s1
SMILES OC(C1)C(C)(C2)C(C)(C)C(C2)1
InChI Key DTGKSKDOIYIVQL-VWHDNNRLSA-N
Molecular Formula C10H18O
Exact Mass 154.136 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-JP000322
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13444553 surechembl
    512289 pubchem
    The data in this table is sourced from UniChem at EBI.