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Xenitorin B
SpectraBase Compound ID Hk3GA4exMol
InChI InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h8,10,12-13,15H,1,5-7H2,2-4H3/t10-,12-,13+,15-/m0/s1
InChIKey SIZHTHJIDBXZNM-DNVSUFBTSA-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 9RvYBDEcJ3c
Name Xenitorin B
Appearance Colorless amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h8,10,12-13,15H,1,5-7H2,2-4H3/t10-,12-,13+,15-/m0/s1
InChIKey SIZHTHJIDBXZNM-DNVSUFBTSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np0203281
Molecular Weight 218.340 g/mol
Optical Rotation [a]D25 = -5.7 (c = 0.20, CHCl3)
Reported Formula C15H22O
SMILES C1C[C@@]2([C@@](C[C@]1(C)[H])([C@@](C(C=C2C)=O)(C(C)=C)[H])[H])[H]
SPLASH splash10-0gb9-0490000000-d1e805f9fa29d3bc3853
Source of Spectrum G4-65-1856-2
Wiley ID 1883583