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rel-(4R,5S,6S)-6-Acetyl-4,8,8-trimethylspiro[4.4]nonan-1-one
SpectraBase Compound ID HYW6tE4CjKr
InChI InChI=1S/C14H22O2/c1-9-5-6-12(16)14(9)8-13(3,4)7-11(14)10(2)15/h9,11H,5-8H2,1-4H3/t9-,11-,14+/m0/s1
InChIKey CUHXQQDXTGHGMQ-NURSFMCSSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmMA4s9LBC6
Name rel-(4R,5S,6S)-6-Acetyl-4,8,8-trimethylspiro[4.4]nonan-1-one
Alternate Name(s) (1R,6R,7S)-6-Acetyl-4,8,8-trimethyl-spiro[4.4]nonan-1-one (4R,5S,6S)-6-acetyl-4,8,8-trimethylspiro[4.4]nonan-1-one (1S,5R,9R)-9-acetyl-1,7,7-trimethyl-4-spiro[4.4]nonanone (1S,5R,9R)-9-acetyl-1,7,7-trimethylspiro[4.4]nonan-4-one (1S,5R,9R)-9-ethanoyl-1,7,7-trimethyl-spiro[4.4]nonan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9-5-6-12(16)14(9)8-13(3,4)7-11(14)10(2)15/h9,11H,5-8H2,1-4H3/t9-,11-,14+/m0/s1
InChIKey CUHXQQDXTGHGMQ-NURSFMCSSA-N
Molecular Weight 222.328 g/mol
SMILES [C@]12([C@@](CC(C2)(C)C)(C(=O)C)[H])C(CC[C@@]1(C)[H])=O
SPLASH splash10-0006-9800000000-8b627205591d47a9e6f7
Source of Spectrum J-59-108-13
Wiley ID 1222978