Dataset

3-CYCLOHEXENE-1-CARBOXYLIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010461 contains the MS mass spectrum of 3-CYCLOHEXENE-1-CARBOXYLIC ACID METHYL ESTER with the InChIkey IPUNVLFESXFVFH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
SMILES COC(=O)C(C1)CC=CC1
InChI Key IPUNVLFESXFVFH-UHFFFAOYSA-N
Molecular Formula C8H12O2
Exact Mass 140.084 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-JP010461
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl cyclohex-3-ene-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91215 surechembl
    96926 pubchem
    234270 brenda
    Molport-001-757-202 molport
    The data in this table is sourced from UniChem at EBI.