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Annularin D

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Annularin D
SpectraBase Compound ID BzJbcFUWPvd
InChI InChI=1S/C10H14O3/c1-4-5-8-7(2)9(12-3)6-10(11)13-8/h6H,4-5H2,1-3H3
InChIKey UBZPWMGPLMVDNO-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72XfmAZb8rE
Name Annularin D
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-4-5-8-7(2)9(12-3)6-10(11)13-8/h6H,4-5H2,1-3H3
InChIKey UBZPWMGPLMVDNO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np030225y
Molecular Weight 182.219 g/mol
SMILES C=1C(OC(=C(C1OC)C)CCC)=O
SPLASH splash10-003r-1900000000-4884ede352df078c1f8f
Source of Spectrum G4-66-1305-4
Wiley ID 1883893