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UMBELIFOLIDE
SpectraBase Compound ID 5kgePor2oyu
InChI InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3/t11-,12-,15-/m1/s1
InChIKey MIRSLSRVCIOISZ-LALPHHSUSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FJ8bjmmIWM
Name (3aR,6R,7aR)-6-(4-ketopentyl)-6-methyl-3-methylene-3a,4,7,7a-tetrahydrobenzofuran-2,5-quinone
CAS Registry Number 89026-40-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3/t11-,12-,15-/m1/s1
InChIKey MIRSLSRVCIOISZ-LALPHHSUSA-N
Molecular Weight 264.321 g/mol
SMILES C1(C([C@]2(CC(=O)[C@@](C[C@]2(O1)[H])(CCCC(=O)C)C)[H])=C)=O
SPLASH splash10-001l-9400000000-aa21fb92a9614a0e6391
Source of Spectrum F-43-2531-1
Synonyms (3aR,6R,7aR)-6-methyl-3-methylene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydrobenzofuran-2,5-dione (3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxidanylidenepentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione (3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione
Wiley ID 1267980