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Annularin E
SpectraBase Compound ID FwDUMLGQw3m
InChI InChI=1S/C9H12O3/c1-3-4-7-5-8(11-2)6-9(10)12-7/h5-6H,3-4H2,1-2H3
InChIKey RCKBJIXCWVUPOX-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkawIut2FI
Name Annularin E
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-3-4-7-5-8(11-2)6-9(10)12-7/h5-6H,3-4H2,1-2H3
InChIKey RCKBJIXCWVUPOX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np030225y
Molecular Weight 168.192 g/mol
SMILES C=1C(OC(=CC1OC)CCC)=O
SPLASH splash10-0gb9-1900000000-9f243dc0622cbf7aa8ab
Source of Spectrum G4-66-1305-5
Wiley ID 1883894