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Serpendione
SpectraBase Compound ID KN9K57VXY65
InChI InChI=1S/C21H26O4/c1-11(2)14-9-19(23)21(4)10-16-12(3)18(22)8-15(16)13(20(24)25-5)6-7-17(14)21/h6,9,11,15,17H,7-8,10H2,1-5H3/b13-6+/t15-,17-,21-/m1/s1
InChIKey IKRSVGORANVKEE-GFJBOOSXSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgUcWYM48Yf
Name Serpendione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-11(2)14-9-19(23)21(4)10-16-12(3)18(22)8-15(16)13(20(24)25-5)6-7-17(14)21/h6,9,11,15,17H,7-8,10H2,1-5H3/b13-6+/t15-,17-,21-/m1/s1
InChIKey IKRSVGORANVKEE-GFJBOOSXSA-N
Molecular Weight 342.435 g/mol
SMILES C=12[C@@](\C(=C/C[C@@]3(C(C(C)C)=CC([C@@]3(C2)C)=O)[H])C(=O)OC)(CC(C1C)=O)[H]
SPLASH splash10-0016-4397000000-af4dc418031fb9f2e068
Source of Spectrum G4-64-218-1
Synonyms Methyl (3aS,6aR,9aR)-7-isopropyl-1,9a-dimethyl-2,9-dioxo-2,3,3a,6,6a,9,9a,10-octahydrodicyclopenta[a,d]cyclooctene-4-carboxylate
Wiley ID 1608801