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Tricyclo[4.1.0.02,4]heptan-5-one, 3,3,7,7-tetramethyl-, (1.alpha.,2.beta.,4.beta.,6.alpha.)-
SpectraBase Compound ID 9wfNGJGyt3B
InChI InChI=1S/C11H16O/c1-10(2)5-6-8(11(6,3)4)9(12)7(5)10/h5-8H,1-4H3/t5-,6?,7+,8?/m1/s1
InChIKey XFKNMGAILBEZTE-RRABCLCVSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAhy5zi8xJC
Name Tricyclo[4.1.0.02,4]heptan-5-one, 3,3,7,7-tetramethyl-, (1.alpha.,2.beta.,4.beta.,6.alpha.)-
CAS Registry Number 67792-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-10(2)5-6-8(11(6,3)4)9(12)7(5)10/h5-8H,1-4H3/t5-,6?,7+,8?/m1/s1
InChIKey XFKNMGAILBEZTE-RRABCLCVSA-N
Molecular Weight 164.248 g/mol
SMILES C12[C@@]3([C@@]([H])(C(C2C1(C)C)=O)C3(C)C)[H]
SPLASH splash10-009l-6900000000-8e2f219d7275c00bd1fb
Source of Spectrum K-111-2694-0
Synonyms (1R,6R)-3,3,7,7-tetramethyltricyclo[4.1.0.0(2,4)]heptan-5-one 3,3,7,7-Tetramethyl-trans-tricyclo[4.1.0.0(2,4)]heptan-5-one
Wiley ID 1160842