Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C27H28N4O2/c1-2-3-4-5-6-11-18-33-27-25(29-22-14-9-10-15-23(22)31-27)17-16-24-26(19-32)30-21-13-8-7-12-20(21)28-24/h7-10,12-17,19H,2-6,11,18H2,1H3/b17-16+
SMILES CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C=O
InChI Key UBLBPTIJQCWTLO-WUKNDPDISA-N
Molecular Formula C27H28N4O2
Exact Mass 440.537 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UBLBPTIJQCWTLO-WUKNDPDISA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UBLBPTIJQCWTLO-WUKNDPDISA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:27:06.903200
MetadataModified 2024-09-07T22:04:33.354268
MetadataPublished 2022-04-17
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables