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Penicifuran B
SpectraBase Compound ID 94tCLgPRqpa
InChI InChI=1S/C13H14O5/c1-7-9(6-12(15)17-3)10-4-8(14)5-11(16-2)13(10)18-7/h4-5,14H,6H2,1-3H3
InChIKey NOEVHVDBCJAOTE-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fj1oo0ru7FP
Name Penicifuran B
Appearance Pale brown, semicrystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-7-9(6-12(15)17-3)10-4-8(14)5-11(16-2)13(10)18-7/h4-5,14H,6H2,1-3H3
InChIKey NOEVHVDBCJAOTE-UHFFFAOYSA-N
Instrument Name Thermo DSQ
Ionization Type EI
Literature Reference DOI 10.1021/np3007556
Molecular Weight 250.250 g/mol
Reported Formula C13H14O5
SMILES Oc1cc(OC)c2c(c1)c(c(o2)C)CC(OC)=O
SPLASH splash10-0006-1940000000-9b22880ed020e30a1a21
Source of Spectrum G4-76-SM33-12
Wiley ID 1854901