Cocaethylene
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000666
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000666 contains the MS mass spectrum of Cocaethylene with the InChIkey NMPOSNRHZIWLLL-XUWVNRHRSA-N.
Source: Cocaethylene
Chemical Info
| InChI | InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1 |
|---|---|
| SMILES | CCOC(=O)C(C(OC(=O)c(c3)cccc3)1)C(C2)N(C)C(C2)C1 |
| InChI Key | NMPOSNRHZIWLLL-XUWVNRHRSA-N |
| Molecular Formula | C18H23NO4 |
| Exact Mass | 317.163 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 | a8523875-3321-4197-92bd-7e89f6842f2b |
| Package id | msbnk-waters-wa000666 |
| Resource type | HTML |
| State | active |