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Heneicosanoic acid

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003936

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003936 contains the MS2 mass spectrum of Heneicosanoic acid with the InChIkey CKDDRHZIAZRDBW-UHFFFAOYSA-N.

Source: Heneicosanoic acid

Chemical Info

molecular Image

InChI	InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
SMILES	C(C(C(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])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key	CKDDRHZIAZRDBW-UHFFFAOYSA-N
Molecular Formula	C21H42O2
Exact Mass	326.318 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	4c53263c-0511-4682-90bd-ae165c289b92
Package id	msbnk-bs-bs003936
Resource type	HTML
State	active