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(1s,2s,3e,7e,11e)-13-oxocembra-3,7,11,15-tetraen-17,2-olide
SpectraBase Compound ID JiX7hzsq5gx
InChI InChI=1S/C20H26O3/c1-13-7-5-9-14(2)11-19-17(16(4)20(22)23-19)12-18(21)15(3)10-6-8-13/h7,10-11,17,19H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-
InChIKey ROQQHOAGXJBFJT-PEFAHGPYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoMzg9iwwxE
Name (1s,2s,3e,7e,11e)-13-oxocembra-3,7,11,15-tetraen-17,2-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-13-7-5-9-14(2)11-19-17(16(4)20(22)23-19)12-18(21)15(3)10-6-8-13/h7,10-11,17,19H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-
InChIKey ROQQHOAGXJBFJT-PEFAHGPYSA-N
Ionization Type EI-B
Molecular Weight 314.425 g/mol
SMILES C\C=1CC\C=C/(C(CC2C(\C=C/(CCC/1)C)OC(C2=C)=O)=O)C
SPLASH splash10-06rx-9810000000-c43bf1f970dfb8c4de6b
Source of Spectrum SRH-2022-10842-0
Wiley ID 1832451