Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C53H38N6/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44/h1-33,52,54-56,59H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-
SMILES c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4[nH]c(/C(=C/5\N=C1C=C5)/c1ccccc1)cc4)/c1ccccc1)/C=C3)\c1ccccc1C(c1ccc[nH]1)c1ccc[nH]1)/[nH]2
InChI Key FJGPNDURHCLNNX-IIFGQYIMSA-N
Molecular Formula C53H38N6
Exact Mass 758.909 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FJGPNDURHCLNNX-IIFGQYIMSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/FJGPNDURHCLNNX-IIFGQYIMSA-N/CHMO0001146
Version
Author Christoph Schissler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:29:48.118040
MetadataModified 2024-09-07T19:42:40.688952
MetadataPublished 2021-05-14
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables