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Warburganal
SpectraBase Compound ID KxSg2Fu4Sq5
InChI InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15+/m0/s1
InChIKey QGMWDUUHVVLHNP-AEGPPILISA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgwwY57Xw1k
Name Warburganal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15+/m0/s1
InChIKey QGMWDUUHVVLHNP-AEGPPILISA-N
Instrument Name Agilent 6890 N/5975B VL MSD
Ionization Type EI
Literature Reference DOI 10.1016/j.rechem.2021.100242
Molecular Weight 250.338 g/mol
Reported Formula C15H22O3
SMILES O[C@@]1(C(=CC[C@]2(C(CCC[C@]12C)(C)C)[H])C=O)C=O
SPLASH splash10-0ab9-0950000000-7a114263896420d876a0
Source of Spectrum RIC-3-SM7-2a
Wiley ID 1879650