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BACCIFERIN_A
SpectraBase Compound ID FInNIyXrZCe
InChI InChI=1S/C15H26O2/c1-14(2)7-4-8-15(3,17)12-6-5-11(10-16)9-13(12)14/h9,12-13,16-17H,4-8,10H2,1-3H3/t12-,13-,15+/m0/s1
InChIKey QRYPQTUSGXZGNH-KCQAQPDRSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25PAPrAIz0o
Name Bacciferin A
Appearance White amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-14(2)7-4-8-15(3,17)12-6-5-11(10-16)9-13(12)14/h9,12-13,16-17H,4-8,10H2,1-3H3/t12-,13-,15+/m0/s1
InChIKey QRYPQTUSGXZGNH-KCQAQPDRSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1021/np070674o
Molecular Weight 238.371 g/mol
Optical Rotation [a]D20 = -3.3 (c = 0.30, CHCl3)
Reported Formula C15H26O2
SMILES OCC1=C[C@@]2(C(CCC[C@@]([C@]2(CC1)[H])(C)O)(C)C)[H]
SPLASH splash10-052r-5900000000-290c27cafd5455f69939
Source of Spectrum G4-71-SM17-4
Wiley ID 1872026