Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-11-7-6-10-15-9-5-4-8-14/h15H,4-7,9-11H2,1-3H3,(H,16,17)
SMILES N#CCCCNCCCCNC(=O)OC(C)(C)C
InChI Key LLQSSCVUQVINBV-UHFFFAOYSA-N
Molecular Formula C13H25N3O2
Exact Mass 255.357 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LLQSSCVUQVINBV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LLQSSCVUQVINBV-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Mertens
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • tert-butyl N-[4-(3-cyanopropylamino)butyl]carbamate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Mertens

    Date : 20240126

    Starting time : 14.32 h

    label : MWM-63

    id : 128166

    Solvent used for referencing : chloroform-D1 (CDCl3)

    temperature : 297.9 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    85975644 pubchem
    The data in this table is sourced from UniChem at EBI.