Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
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 |
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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/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JGUCYLISNORQFW-UHFFFAOYSA-N/CHMO0000595 |
Version | |
Author | Lisa Schmidt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T00:54:48.874731 |
MetadataModified | 2024-09-08T00:54:48.874737 |
MetadataPublished | 2023-05-09 |
Field | Value |
---|---|
Measurement Technique | 13C 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. |