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1-Benzoxirene, 5a-[3-oxo-1-butenyl]perhydro-2-hydroxy-1a,5,5-trimethyl-, acetate
SpectraBase Compound ID G5scfkFKvqg
InChI InChI=1S/C15H22O4/c1-10(16)6-9-15-13(3,4)8-7-12(18-11(2)17)14(15,5)19-15/h6,9,12H,7-8H2,1-5H3/b9-6+
InChIKey DTLIHXBPFODSEI-RMKNXTFCSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ircvgm5FEEf
Name 1-Benzoxirene, 5a-[3-oxo-1-butenyl]perhydro-2-hydroxy-1a,5,5-trimethyl-, acetate
Alternate Name(s) 1,5,5-Trimethyl-6-[(1E)-3-oxo-1-butenyl]-7-oxabicyclo[4.1.0]hept-2-yl acetate Acetic acid [1,5,5-trimethyl-6-[(E)-3-oxobut-1-enyl]-7-oxabicyclo[4.1.0]heptan-2-yl] ester [1,5,5-trimethyl-6-[(E)-3-oxobut-1-enyl]-7-oxabicyclo[4.1.0]heptan-2-yl] acetate [1,5,5-trimethyl-6-[(E)-3-oxidanylidenebut-1-enyl]-7-oxabicyclo[4.1.0]heptan-2-yl] ethanoate
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Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-10(16)6-9-15-13(3,4)8-7-12(18-11(2)17)14(15,5)19-15/h6,9,12H,7-8H2,1-5H3/b9-6+
InChIKey DTLIHXBPFODSEI-RMKNXTFCSA-N
Molecular Weight 266.337 g/mol
SMILES C1CC(C2(C(C1(C)C)(\C=C\C(=O)C)O2)C)OC(C)=O
SPLASH splash10-00di-4900000000-da558a0bec154aba9194
Wiley ID 1478535