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.beta.-Cyclocostunolide
SpectraBase Compound ID 3WkeO1ZMQH3
InChI InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1
InChIKey XUYAKPXYKQEFPD-SFDCQRBFSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0dFi1IcRwu
Name .beta.-Cyclocostunolide
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 310oC
InChI InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1
InChIKey XUYAKPXYKQEFPD-SFDCQRBFSA-N
Inlet Type Split (10:1)
Instrument Name Agilent Technologies 7890B-5077A
Ionization Type EI
Literature Reference DOI 10.1002/jssc.201700072
Molecular Weight 232.323 g/mol
Quality 918
SMILES [C@@]12([C@@]3([C@@](CC[C@]2(C(C(O1)=O)=C)[H])(CCCC3=C)C)[H])[H]
SPLASH splash10-003u-5920000000-6b84e2bd80fa1ec32617
Source of Spectrum SEP-40-2678-Figure 3(D) (DOI: 10.1002/jssc.201700072)
Wiley ID 1904397