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Fraganal
SpectraBase Compound ID FxwJevFqSqX
InChI InChI=1S/C10H6O3/c11-6-7-2-1-3-9-8(7)4-5-13-10(9)12/h1-6H
InChIKey FMLGEYZWGUYXDS-UHFFFAOYSA-N
Mol Weight 174.15 g/mol
Molecular Formula C10H6O3
Exact Mass 174.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBWXNrpKq
Name Fraganal
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6O3
InChI InChI=1S/C10H6O3/c11-6-7-2-1-3-9-8(7)4-5-13-10(9)12/h1-6H
InChIKey FMLGEYZWGUYXDS-UHFFFAOYSA-N
Instrument Name ThermoFinnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b00691
Molecular Weight 174.155 g/mol
Reported Formula C10H6O3
SMILES c1cc2c(c(c1)C=O)C=COC2=O
SPLASH splash10-00xs-0900000000-0033d7b37e368412f9dd
Source of Spectrum G4-79-772-4
Wiley ID 1849280