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Stearic acid

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003929

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003929 contains the MS2 mass spectrum of Stearic acid with the InChIkey QIQXTHQIDYTFRH-UHFFFAOYSA-N.

Source: Stearic acid

Chemical Info

molecular Image

InChI	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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])([H])[H]
InChI Key	QIQXTHQIDYTFRH-UHFFFAOYSA-N
Molecular Formula	C18H36O2
Exact Mass	284.272 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	585ae2cb-4499-4bdc-b490-bedd9aa86880
Package id	msbnk-bs-bs003929
Resource type	HTML
State	active