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/C44H29BrN4/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
SMILES Brc1ccc(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)\c1ccccc1)/[nH]2
InChI Key KZMQSCMPIIKCOK-LWQDQPMZSA-N
Molecular Formula C44H29BrN4
Exact Mass 693.632 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KZMQSCMPIIKCOK-LWQDQPMZSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/KZMQSCMPIIKCOK-LWQDQPMZSA-N/1HNMR
Version
Author Thomas Wiesner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:50:55.943340
MetadataModified 2024-09-07T16:12:10.733247
MetadataPublished 2019-11-14
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB74189368 ChemicalBook
The data in this table is sourced from UniChem at EBI.