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7-Oxabicyclo[2.2.1]heptan-2-one, 3-methyl-, (1R-exo)-
SpectraBase Compound ID BlTxidWeDkA
InChI InChI=1S/C7H10O2/c1-4-5-2-3-6(9-5)7(4)8/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKey DVPVXGGQBSOSQS-HCWXCVPCSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LgnFP3Bt1H
Name 7-Oxabicyclo[2.2.1]heptan-2-one, 3-methyl-, (1R-exo)-
CAS Registry Number 113349-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-4-5-2-3-6(9-5)7(4)8/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKey DVPVXGGQBSOSQS-HCWXCVPCSA-N
Molecular Weight 126.155 g/mol
SMILES C1([C@]([C@@]2([H])O[C@@]1(CC2)[H])(C)[H])=O
SPLASH splash10-0ab9-9000000000-c1618bc72c1051cd50ab
Source of Spectrum H-70-697-8
Synonyms (+)-(1R,3S,4S)-3-exo-methyl-7-oxabicyclo[2.2.1]heptan-2-one (1R,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]heptan-2-one
Wiley ID 1129928