Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C18H24N2O4/c1-12(21)19-9-8-13-11-20(17(22)24-18(2,3)4)16-7-6-14(23-5)10-15(13)16/h6-7,10-11H,8-9H2,1-5H3,(H,19,21)
SMILES COc1ccc2c(c1)c(CCNC(=O)C)cn2C(=O)OC(C)(C)C
InChI Key LTVUUOGTDLUGRR-UHFFFAOYSA-N
Exact Mass 332.394 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LTVUUOGTDLUGRR-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/LTVUUOGTDLUGRR-UHFFFAOYSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-17
Related Molecule
  • tert-butyl 3-(2-acetamidoethyl)-5-methoxyindole-1-carboxylate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.784.213E Nikkaji
    11045833 PubChem
    16111373 PubChem: Thomson Pharma
    SCHEMBL1310005 SureChEMBL
    The data in this table is sourced from UniChem at EBI.