Ebastin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU251202
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU251202 contains the MS2 mass spectrum of Ebastin with the InChIkey MJJALKDDGIKVBE-UHFFFAOYSA-N.
Source: Ebastin
Chemical Info
| InChI | InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1 |
| InChI Key | MJJALKDDGIKVBE-UHFFFAOYSA-N |
| Molecular Formula | C32H39NO2 |
| Exact Mass | 469.298 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 | 8d33c8df-3411-4b25-a21e-946130191c9e |
| Package id | msbnk-athens_univ-au251202 |
| Resource type | HTML |
| State | active |