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/C12H18IN3/c1-9(2)16(10(3)4)15-14-12-7-5-11(13)6-8-12/h5-10H,1-4H3/b15-14+
SMILES CC(N(C(C)C)/N=N/c1ccc(cc1)I)C
InChI Key TZFWPFBBUPQHOJ-CCEZHUSRSA-N
Molecular Formula C12H18IN3
Exact Mass 331.196 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TZFWPFBBUPQHOJ-CCEZHUSRSA-N/NMR/1H/CDCL3/400
License URL
Source https://www.chemotion-repository.net/inchikey/TZFWPFBBUPQHOJ-CCEZHUSRSA-N/NMR/1H/CDCL3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:35:45.023090
MetadataModified 2024-09-07T11:55:52.730425
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables