Dataset

4-AZIDOBENZOIC ACID CYCLOHEXYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003483 contains the MS mass spectrum of 4-AZIDOBENZOIC ACID CYCLOHEXYL ESTER with the InChIkey BNVZXSYEQNAJCR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H15N3O2/c14-16-15-11-8-6-10(7-9-11)13(17)18-12-4-2-1-3-5-12/h6-9,12H,1-5H2
SMILES [N-1]=[N+1]=Nc(c2)ccc(c2)C(=O)OC(C1)CCCC1
InChI Key BNVZXSYEQNAJCR-UHFFFAOYSA-N
Molecular Formula C13H15N3O2
Exact Mass 245.116 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-JP003483
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • cyclohexyl 4-azidobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J46.702B Nikkaji
    101621291 PubChem
    The data in this table is sourced from UniChem at EBI.