Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H14N2O/c1-3-6(2)7-8(11)10-5-4-9-7/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
SMILES C[C@H](C1=NCCNC1=O)CC
InChI Key PFTPBCIBIVRXGT-LURJTMIESA-N
Molecular Formula C8H14N2O
Exact Mass 154.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PFTPBCIBIVRXGT-LURJTMIESA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PFTPBCIBIVRXGT-LURJTMIESA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-[(2S)-butan-2-yl]-2,3-dihydro-1H-pyrazin-6-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453457 pubchem
    The data in this table is sourced from UniChem at EBI.