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(3R,6R)-3-isopropenyl-6-methyl-cycloheptanone
SpectraBase Compound ID HDPjGbrUYrA
InChI InChI=1S/C11H18O/c1-8(2)10-5-4-9(3)6-11(12)7-10/h9-10H,1,4-7H2,2-3H3/t9-,10-/m1/s1
InChIKey OTXDRPHTCQKNEU-NXEZZACHSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdyI559i5wm
Name (3R,6R)-3-isopropenyl-6-methyl-cycloheptanone
CAS Registry Number 112924-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-8(2)10-5-4-9(3)6-11(12)7-10/h9-10H,1,4-7H2,2-3H3/t9-,10-/m1/s1
InChIKey OTXDRPHTCQKNEU-NXEZZACHSA-N
Molecular Weight 166.264 g/mol
SMILES [C@@]1(C(=C)C)(CC(=O)C[C@@](CC1)(C)[H])[H]
SPLASH splash10-014i-9400000000-3677e62ff08464e81622
Source of Spectrum F-43-1107-6
Synonyms (3R,6R)-3-methyl-6-(1-methylethenyl)-1-cycloheptanone (3R,6R)-3-methyl-6-prop-1-en-2-yl-cycloheptan-1-one
Wiley ID 1163060