Dataset
![molecular Image]()
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
| InChI | InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H |
|---|---|
| SMILES | C#Cc1ccc(cc1)C#C |
| InChI Key | MVLGANVFCMOJHR-UHFFFAOYSA-N |
| Molecular Formula | C10H6 |
| Exact Mass | 126.155 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/MVLGANVFCMOJHR-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/MVLGANVFCMOJHR-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Cornelia Mattern |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T04:32:43.543816 |
| MetadataModified | 2024-09-07T19:46:31.912609 |
| MetadataPublished | 2021-05-21 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| ETYNBZ | CCDC |
| ZINC000002149794 | ZINC |
| J80.027I | Nikkaji |
| CHEMBL224048 | ChEMBL |
| 120463 | PubChem |
| 935-14-8 | ACToR |
| 30700-96-0 | ACToR |
| 14940520 | PubChem: Thomson Pharma |
| 525225 | eMolecules |
| CB9320011 | ChemicalBook |
| SCHEMBL28871 | SureChEMBL |
| MCULE-8158128321 | Mcule |
| 10022869 | NMRShiftDB |
| The data in this table is sourced from UniChem at EBI. | |