Carbetapentane
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00376603
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ00376603 contains the MS2 mass spectrum of Carbetapentane with the InChIkey CFJMRBQWBDQYMK-UHFFFAOYSA-N.
Source: Carbetapentane
Chemical Info
| InChI | InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3 |
|---|---|
| SMILES | CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2 |
| InChI Key | CFJMRBQWBDQYMK-UHFFFAOYSA-N |
| Molecular Formula | C20H31NO3 |
| Exact Mass | 333.230 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | bb5210a8-1032-4db0-9772-1147a49e4246 |
| Package id | msbnk-eawag-eq00376603 |
| Resource type | HTML |
| State | active |