Trans-Vaccenic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003998
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003998 contains the MS2 mass spectrum of Trans-Vaccenic acid with the InChIkey UWHZIFQPPBDJPM-BQYQJAHWSA-N.
Source: Trans-Vaccenic acid
Chemical Info
InChI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+ |
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SMILES | C(C(C(C(C(C(/C(=C(/C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])\[H])/[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H] |
InChI Key | UWHZIFQPPBDJPM-BQYQJAHWSA-N |
Molecular Formula | C18H34O2 |
Exact Mass | 282.256 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
Id | 0c16abe6-5cc0-449f-8aec-81000f26e027 |
Package id | msbnk-bs-bs003998 |
Resource type | HTML |
State | active |