Dataset

1-ETHOXY-4-NITROBENZENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001651 contains the MS mass spectrum of 1-ETHOXY-4-NITROBENZENE with the InChIkey NWPKEYHUZKMWKJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
SMILES CCOc(c1)ccc(c1)[N+1]([O-1])=O
InChI Key NWPKEYHUZKMWKJ-UHFFFAOYSA-N
Molecular Formula C8H9NO3
Exact Mass 167.058 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-JP001651
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:56.528425
MetadataModified 2025-07-15T00:18:21.560448
MetadataPublished 2016-01-19
Related Molecule
  • 1-ethoxy-4-nitrobenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    100-29-8 ACToR
    715483 eMolecules
    SCHEMBL45896 SureChEMBL
    14772531 PubChem: Thomson Pharma
    CB4137070 ChemicalBook
    CHEMBL3182742 ChEMBL
    GAKQEP CCDC
    DTXSID7026655 EPA CompTox Dashboard
    ZINC000001700199 ZINC
    20039201 NMRShiftDB
    O0A69I1MCU FDA SRS
    7495 PubChem
    MCULE-1766475730 Mcule
    The data in this table is sourced from UniChem at EBI.