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Methyl 2-[(1S,3R,4R)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]acetate

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

Methyl 2-[(1S,3R,4R)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]acetate
SpectraBase Compound ID GldKP4BVQwr
InChI InChI=1S/C15H24O2/c1-6-15(4)8-7-12(10-14(16)17-5)9-13(15)11(2)3/h6,12-13H,1-2,7-10H2,3-5H3/t12-,13+,15-/m0/s1
InChIKey QDWGTNVIPJJQQV-GUTXKFCHSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4fKIn08BdC8
Name Methyl 2-[(1S,3R,4R)-3-isopropenyl-4-methyl-4-vinylcyclohexyl]acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.177630011 u
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-6-15(4)8-7-12(10-14(16)17-5)9-13(15)11(2)3/h6,12-13H,1-2,7-10H2,3-5H3/t12-,13+,15-/m0/s1
InChIKey QDWGTNVIPJJQQV-GUTXKFCHSA-N
Molecular Weight 236.355 g/mol
SMILES [C@@]1([C@@](C=C)(CC[C@@](C1)(CC(=O)OC)[H])C)(C(=C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951029