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(3R,6R)-3-isopropenyl-6-methyl-cycloheptanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HcGMhY76evt
Name (3R,6R)-3-Isopropenyl-6-methyl-cycloheptanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.135765199 u
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]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952712