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Catalpalactone
SpectraBase Compound ID 7aqlBbRSRyx
InChI InChI=1S/C15H14O4/c1-15(2)8-7-11(14(17)19-15)12-9-5-3-4-6-10(9)13(16)18-12/h3-7,12H,8H2,1-2H3
InChIKey GFYSRANGENPXDF-UHFFFAOYSA-N
Mol Weight 258.27 g/mol
Molecular Formula C15H14O4
Exact Mass 258.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxCeqeDXQ0
Name Catalpalactone
CAS Registry Number 1585-68-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 258.089208927 u
Formula C15H14O4
InChI InChI=1S/C15H14O4/c1-15(2)8-7-11(14(17)19-15)12-9-5-3-4-6-10(9)13(16)18-12/h3-7,12H,8H2,1-2H3
InChIKey GFYSRANGENPXDF-UHFFFAOYSA-N
Molecular Weight 258.273 g/mol
Number of Peaks 50
RI1 2197
SMILES C1(=O)OC(CC=C1C1OC(=O)c2c1cccc2)(C)C
SPLASH splash10-0006-3950000000-ab884d322c83c90e2274
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1(3H)-Isobenzofuranone, 3-(5,6-dihydro-6,6-dimethyl-2-oxo-2H-pyran-3-yl)-
Wiley ID LM_FFNSC3_2258