Dataset
BENZALDEHYDE DIMETHYL ACETAL; EI-B; MS
Chemical Information
| InChI | InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3 |
|---|---|
| SMILES | COC(OC)c(c1)cccc1 |
| InChI Key | HEVMDQBCAHEHDY-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.084 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-JP008663 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 10008905 | NMRShiftDB |
| ZINC000000389865 | ZINC |
| DTXSID5061538 | EPA CompTox Dashboard |
| J57.881I | Nikkaji |
| CB7187551 | ChemicalBook |
| HMDB0041326 | Human Metabolome Database |
| 62375 | PubChem |
| 479260 | eMolecules |
| 15437407 | PubChem: Thomson Pharma |
| SCHEMBL26689 | SureChEMBL |
| 179257 | ChEBI |
| W6T83K35CA | FDA SRS |
| 1125-88-8 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |