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2-Oxabicyclo[3.1.1]heptane, 2-propanone deriv.
SpectraBase Compound ID J5p9qErOY2J
InChI InChI=1S/C10H16O2/c1-8(11)5-10-6-9(2,7-10)3-4-12-10/h3-7H2,1-2H3
InChIKey IJSSWJRYNUJPOY-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KEPHCznTEQ
Name 2-Oxabicyclo[3.1.1]heptane, 2-propanone deriv.
CAS Registry Number 113995-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-8(11)5-10-6-9(2,7-10)3-4-12-10/h3-7H2,1-2H3
InChIKey IJSSWJRYNUJPOY-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES C12(OCCC(C2)(C)C1)CC(=O)C
SPLASH splash10-00kf-9500000000-3d68eaf712dac4354420
Source of Spectrum H-70-1305-11
Synonyms 2-Propanone, 1-(5-methyl-2-oxabicyclo[3.1.1]hept-1-yl)- 1-(5-Methyl-2-oxabicyclo[3.1.1]hept-1-yl)acetone 1-(5-Methyl-2-oxabicyclo[3.1.1]hept-1-yl)propan-2-one
Wiley ID 1164831