Dataset
![molecular Image]()
ISOPROPENYLBENZENE
Chemical Info
| InChI | InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3 |
|---|---|
| SMILES | CC(=C)c(c1)cccc1 |
| InChI Key | XYLMUPLGERFSHI-UHFFFAOYSA-N |
| Molecular Formula | C9H10 |
| Exact Mass | 118.078 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP012250 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T15:56:06.036165 |
| MetadataModified | 2025-02-09T12:12:17.456589 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 506420 | eMolecules |
| 165169-27-7 | ACToR |
| 25013-15-4 | ACToR |
| 7407 | PubChem |
| 15218864 | PubChem: Thomson Pharma |
| 98-83-9 | ACToR |
| 10009333 | NMRShiftDB |
| SCHEMBL6577 | SureChEMBL |
| D46R9753IK | FDA SRS |
| 165633 | Brenda |
| HMDB0059899 | Human Metabolome Database |
| CB5302758 | ChemicalBook |
| CHEMBL1344773 | ChEMBL |
| C14395 | KEGG Ligand |
| FADCUJ | CCDC |
| J3.582C | Nikkaji |
| ZINC000001699968 | ZINC |
| DTXSID9025661 | EPA CompTox Dashboard |
| MCULE-3507413504 | Mcule |
| 35060 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |