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/C16H12N6.ClH/c17-12-7-5-11(6-8-12)15-10-22(21-20-15)16-9-18-13-3-1-2-4-14(13)19-16;/h1-10H,17H2;1H
SMILES [NH3+]c1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2.[Cl-]
InChI Key GRLFMIQVCULKIR-UHFFFAOYSA-N
Molecular Formula C16H13ClN6
Exact Mass 324.768 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GRLFMIQVCULKIR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GRLFMIQVCULKIR-UHFFFAOYSA-N/CHMO0000593
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:55:43.308435
MetadataModified 2024-09-07T21:33:16.979006
MetadataPublished 2022-02-11
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables