4-CPA
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000173
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000173 contains the MS2 mass spectrum of 4-CPA with the InChIkey SODPIMGUZLOIPE-UHFFFAOYSA-N.
Source: 4-CPA
Chemical Info
| InChI | InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
|---|---|
| SMILES | OC(=O)COc(c1)ccc(Cl)c1 |
| InChI Key | SODPIMGUZLOIPE-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 3307caa9-2733-4006-bbb3-7bd522dec897 |
| Package id | msbnk-waters-wa000173 |
| Resource type | HTML |
| State | active |