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(4R,5R,9S,10R,11S)-Morel-2-en-7-one
SpectraBase Compound ID 7AONgbo198c
InChI InChI=1S/C15H22O/c1-8-5-6-10-9(2)11-7-12(16)15(3,4)14(10)13(8)11/h5,9-11,13-14H,6-7H2,1-4H3/t9-,10-,11+,13-,14-/m1/s1
InChIKey KTZOECZKAGADFF-KHQUWSPVSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4G79nRSIFkz
Name (4R,5R,9S,10R,11S)-Morel-2-en-7-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-8-5-6-10-9(2)11-7-12(16)15(3,4)14(10)13(8)11/h5,9-11,13-14H,6-7H2,1-4H3/t9-,10-,11+,13-,14-/m1/s1
InChIKey KTZOECZKAGADFF-KHQUWSPVSA-N
Instrument Name Hewlett-Packard 5989A or Varian Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/np030354e
Molecular Weight 218.340 g/mol
Optical Rotation [a]D = +142 (c = 1.58)
Reported Formula C15H22O
SMILES C=1C[C@]2([C@@]3([C@](C1C)([C@@](CC(C3(C)C)=O)([C@@]2(C)[H])[H])[H])[H])[H]
SPLASH splash10-014l-6960000000-0a671eefe78849e0e1e0
Source of Spectrum G4-67-192-10
Wiley ID 1881652