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4-Megastigmen-3,9-dione
SpectraBase Compound ID 7VSwxwucKu9
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3
InChIKey GSTVTHMQXVKNQF-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LF9IGaapXv
Name 4-Megastigmen-3,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3
InChIKey GSTVTHMQXVKNQF-UHFFFAOYSA-N
Instrument Name HP 6890
Ionization Type EI
Literature Reference DOI 10.1021/np049857q
Molecular Weight 208.301 g/mol
Optical Rotation [a]D25 = -1.5 (c = 0.050, CHCl3)
SMILES C1C(=O)C=C(C)C(CCC(=O)C)C1(C)C
SPLASH splash10-00kf-0920000000-429a494a537a80a10334
Source of Spectrum G4-67-1494-16
Wiley ID 1881925