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(2R,4R)-4-(1-Methylethyl)-2-(prop-2-en-1-yl)cyclohexanone
SpectraBase Compound ID I78M69iTcol
InChI InChI=1S/C12H20O/c1-4-5-11-8-10(9(2)3)6-7-12(11)13/h4,9-11H,1,5-8H2,2-3H3/t10-,11-/m1/s1
InChIKey KMULYPFMFRMBMV-GHMZBOCLSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXkgeIMwsJ8
Name (2R,4R)-4-(1-Methylethyl)-2-(prop-2-en-1-yl)cyclohexanone
Alternate Name(s) (2R,4R)-2-allyl-4-isopropylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-4-5-11-8-10(9(2)3)6-7-12(11)13/h4,9-11H,1,5-8H2,2-3H3/t10-,11-/m1/s1
InChIKey KMULYPFMFRMBMV-GHMZBOCLSA-N
Literature Reference DOI 10.1002/cbdv.201400153
Molecular Weight 180.291 g/mol
SMILES C1[C@](C(C)C)(CCC(=O)[C@@]1(CC=C)[H])[H]
SPLASH splash10-0a4i-9200000000-1a3dbedde02e0432d078
Source of Spectrum CBD-11-1647-15b
Wiley ID 1771372