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(1S,3R)-3-((1R,2R)-3S)-6-(1-Ethoxyethoxy)-1,2,6-trimethy-4-heptynyl)-3-methylcyclohexan-1-one
SpectraBase Compound ID AIaFj6TW8xq
InChI InChI=1S/C21H36O3/c1-7-23-14-15-24-20(4,5)12-8-10-17(2)18(3)21(6)13-9-11-19(22)16-21/h17-18H,7,9-11,13-16H2,1-6H3/t17-,18-,21+/m1/s1
InChIKey SGGDNPSQFHBNNF-OPYAIIAOSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DafdAhrWKny
Name (1S,3R)-3-((1R,2R)-3S)-6-(1-Ethoxyethoxy)-1,2,6-trimethy-4-heptynyl)-3-methylcyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-7-23-14-15-24-20(4,5)12-8-10-17(2)18(3)21(6)13-9-11-19(22)16-21/h17-18H,7,9-11,13-16H2,1-6H3/t17-,18-,21+/m1/s1
InChIKey SGGDNPSQFHBNNF-OPYAIIAOSA-N
Molecular Weight 336.516 g/mol
SMILES [C@]1([C@@]([C@@](CC#CC(OCCOCC)(C)C)(C)[H])(C)[H])(CC(=O)CCC1)C
SPLASH splash10-00di-9510000000-c0a9512244a3369e7a8f
Source of Spectrum F2-42-3553-50
Wiley ID 1600319