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3,7-Dimethyloct-6-en-1-yn-3-yl benzoate
SpectraBase Compound ID HHsm8PVKl5O
InChI InChI=1S/C17H20O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h1,6-8,10-12H,9,13H2,2-4H3
InChIKey FZWWUWDHUUYVAF-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoiKri4JQUk
Name 3,7-Dimethyloct-6-en-1-yn-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h1,6-8,10-12H,9,13H2,2-4H3
InChIKey FZWWUWDHUUYVAF-UHFFFAOYSA-N
Molecular Weight 256.345 g/mol
SMILES C(c1ccccc1)(=O)OC(C#C)(CCC=C(C)C)C
SPLASH splash10-0ar3-7900000000-60d4320994984f933159
Source of Spectrum KC-61-4798-3
Synonyms 1-Ethynyl-1,5-dimethyl-4-hexenyl benzoate
Wiley ID 1629156