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lemnal-1(10)-ene-2,12-dione
SpectraBase Compound ID IvqeSUUD6GK
InChI InChI=1S/C15H20O3/c1-8-6-11(16)7-10-4-5-12-13(15(8,10)3)9(2)14(17)18-12/h7-9,12-13H,4-6H2,1-3H3/t8-,9-,12-,13-,15+/m0/s1
InChIKey FDXWIBXGNSYWLQ-GLBWXDBNSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49HKLmtYbFP
Name lemnal-1(10)-ene-2,12-dione
Appearance Colorless amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8-6-11(16)7-10-4-5-12-13(15(8,10)3)9(2)14(17)18-12/h7-9,12-13H,4-6H2,1-3H3/t8-,9-,12-,13-,15+/m0/s1
InChIKey FDXWIBXGNSYWLQ-GLBWXDBNSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np0400858
Molecular Weight 248.322 g/mol
Optical Rotation [a]D25 = -11 (c = 0.2, CHCl3)
Reported Formula C15H20O3
SMILES C1(C=C2[C@@]([C@](C1)(C)[H])([C@@]1([C@](CC2)(OC([C@]1(C)[H])=O)[H])[H])C)=O
SPLASH splash10-014l-9310000000-74f1fa6db8788e297015
Source of Spectrum G4-67-1458-6
Synonyms Armatin F
Wiley ID 1881910