FLAVOXATE
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00001
Dataset description:
This MassBank record with Accession MSBNK-UPAO-UPA00001 contains the MS2 mass spectrum of FLAVOXATE with the InChIkey SPIUTQOUKAMGCX-UHFFFAOYSA-N.
Source: FLAVOXATE
Chemical Info
| InChI | InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3 |
|---|---|
| SMILES | C(C4)CCN(C4)CCOC(=O)c(c3)c(O1)c(cc3)C(=O)C(C)=C(c(c2)cccc2)1 |
| InChI Key | SPIUTQOUKAMGCX-UHFFFAOYSA-N |
| Molecular Formula | C24H25NO4 |
| Exact Mass | 391.178 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 4.0 International (CC BY 4.0) |
| Id | 23c2990c-8b22-46c3-ae32-23dc22a54395 |
| Package id | msbnk-upao-upa00001 |
| Resource type | HTML |
| State | active |