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/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H
SMILES C#Cc1ccc(cc1)C(c1ccc(cc1)C#C)(c1ccc(cc1)C#C)c1ccc(cc1)C#C
InChI Key JGUCYLISNORQFW-UHFFFAOYSA-N
Molecular Formula C33H20
Exact Mass 416.512 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JGUCYLISNORQFW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JGUCYLISNORQFW-UHFFFAOYSA-N/CHMO0000593
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:54:43.642842
MetadataModified 2024-09-08T00:54:43.642848
MetadataPublished 2023-05-09
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
12157742 PubChem
CB92603886 ChemicalBook
ZINC000113858238 ZINC
J1.081.297F Nikkaji
HAZQII CCDC
SCHEMBL450726 SureChEMBL
The data in this table is sourced from UniChem at EBI.