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5,8,8-trimethyl-6-(2-oxidanylidenepropyl)-7-oxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 2MqFcNsYCX0
InChI InChI=1S/C13H20O3/c1-8(14)7-11-13(4)9(15)5-6-10(16-11)12(13,2)3/h10-11H,5-7H2,1-4H3
InChIKey VAHXVYIBHPJFJX-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63DnH7XFXDZ
Name 5,8,8-trimethyl-6-(2-oxidanylidenepropyl)-7-oxabicyclo[3.2.1]octan-4-one
Alternate Name(s) 5,8,8-trimethyl-6-(2-oxopropyl)-7-oxabicyclo[3.2.1]octan-4-one 6-Acetonyl-5,8,8-trimethyl-7-oxabicyclo[3.2.1]octan-4-one
CAS Registry Number 85198-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-8(14)7-11-13(4)9(15)5-6-10(16-11)12(13,2)3/h10-11H,5-7H2,1-4H3
InChIKey VAHXVYIBHPJFJX-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C12(C(OC(C2(C)C)CCC1=O)CC(=O)C)C
SPLASH splash10-0006-9700000000-094f195c204b67f160f1
Source of Spectrum H-65-2370-0
Wiley ID 1225260