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[(4'R)-4'-Isopropyl-2-(4''-oxobutyl)cyclohex-1'-en-1'-yl]methyl benzoate
SpectraBase Compound ID IUrXNqeQu2B
InChI InChI=1S/C22H30O3/c1-16(2)19-12-13-21(20(14-19)11-7-8-17(3)23)15-25-22(24)18-9-5-4-6-10-18/h4-6,9-10,16,19H,7-8,11-15H2,1-3H3/t19-/m1/s1
InChIKey UYJHNKGTOXLLSP-LJQANCHMSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1A5mvF0PmJO
Name [(4'R)-4'-Isopropyl-2-(4''-oxobutyl)cyclohex-1'-en-1'-yl]methyl benzoate
Alternate Name(s) [(4'R)-4'-Isopropyl-2-(4''-oxopentyl)cyclohex-1'-en-1'-yl]methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-16(2)19-12-13-21(20(14-19)11-7-8-17(3)23)15-25-22(24)18-9-5-4-6-10-18/h4-6,9-10,16,19H,7-8,11-15H2,1-3H3/t19-/m1/s1
InChIKey UYJHNKGTOXLLSP-LJQANCHMSA-N
Molecular Weight 342.479 g/mol
SMILES C1(=C(COC(=O)c2ccccc2)CC[C@](C1)(C(C)C)[H])CCCC(=O)C
SPLASH splash10-0a4i-4920000000-f4922187c4b49bef7f96
Source of Spectrum H-84-429-28
Wiley ID 847541