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Methyl (1S,5R)-3-acetyl-1,5-diallyl-4,4-dimethyl-2-oxocyclohexane-1-carboxylate
SpectraBase Compound ID RAhf5VxgoT
InChI InChI=1S/C18H26O4/c1-7-9-13-11-18(10-8-2,16(21)22-6)15(20)14(12(3)19)17(13,4)5/h7-8,13-14H,1-2,9-11H2,3-6H3/t13-,14?,18+/m1/s1
InChIKey GXTOEMQMXVPULX-RFQFSVLTSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SpMPGdiK5W
Name Methyl (1S,5R)-3-acetyl-1,5-diallyl-4,4-dimethyl-2-oxocyclohexane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-7-9-13-11-18(10-8-2,16(21)22-6)15(20)14(12(3)19)17(13,4)5/h7-8,13-14H,1-2,9-11H2,3-6H3/t13-,14?,18+/m1/s1
InChIKey GXTOEMQMXVPULX-RFQFSVLTSA-N
Literature Reference DOI 10.1002/anie.201306256
Molecular Weight 306.402 g/mol
SMILES C([C@]1(C[C@](C(C)(C)C(C1=O)C(=O)C)(CC=C)[H])CC=C)(OC)=O
SPLASH splash10-054o-9763000000-1f558d5b223f3c7d9ac1
Source of Spectrum ACI-52-SM-11_Diastereoisomerb
Wiley ID 1781907