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(2S,4S)-2-allyl-4-isopropyl-cyclohexanone
SpectraBase Compound ID 5rzNbxkien4
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-/m0/s1
InChIKey KMULYPFMFRMBMV-QWRGUYRKSA-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 7diki49tjzX
Name (2S,4S)-2-allyl-4-isopropyl-cyclohexanone
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-/m0/s1
InChIKey KMULYPFMFRMBMV-QWRGUYRKSA-N
Molecular Weight 180.291 g/mol
SMILES C1([C@](C[C@](CC1)(C(C)C)[H])(CC=C)[H])=O
SPLASH splash10-0019-0900000000-e43a407c24371a050f42
Source of Spectrum J-61-2082-4
Synonyms (2S,4S)-4-propan-2-yl-2-prop-2-enyl-1-cyclohexanone (2S,4S)-4-propan-2-yl-2-prop-2-enyl-cyclohexan-1-one
Wiley ID 1177001