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exo-2-Acetyl-3-butylcarbonyl-7-oxabicyclo[2.2.1]hept-5-ene
SpectraBase Compound ID ARiz8asHCmC
InChI InChI=1S/C13H18O3/c1-3-4-5-9(15)13-11-7-6-10(16-11)12(13)8(2)14/h6-7,10-13H,3-5H2,1-2H3
InChIKey NSEIGNAUWICJEB-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LDiXp6EUoS
Name exo-2-Acetyl-3-butylcarbonyl-7-oxabicyclo[2.2.1]hept-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-4-5-9(15)13-11-7-6-10(16-11)12(13)8(2)14/h6-7,10-13H,3-5H2,1-2H3
InChIKey NSEIGNAUWICJEB-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C12OC(C=C2)C(C1C(=O)C)C(=O)CCCC
SPLASH splash10-0002-9200000000-563c73160da80d931d71
Source of Spectrum SO-0-717-3
Synonyms endo-2-Acetyl-3-butylcarbonyl-7-oxabicyclo[2.2.1]hept-5-ene 1-(3-acetyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)-1-pentanone
Wiley ID 873611