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(S)-2,2-dimethyl-5-(hept-2-yn-1-yl)-1,3-dioxolan-4-one
SpectraBase Compound ID 5MhMivfH6hG
InChI InChI=1S/C12H18O3/c1-4-5-6-7-8-9-10-11(13)15-12(2,3)14-10/h10H,4-6,9H2,1-3H3/t10-/m0/s1
InChIKey UHBJFPDHILXZOJ-JTQLQIEISA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wMhkqjM759
Name (S)-2,2-dimethyl-5-(hept-2-yn-1-yl)-1,3-dioxolan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-5-6-7-8-9-10-11(13)15-12(2,3)14-10/h10H,4-6,9H2,1-3H3/t10-/m0/s1
InChIKey UHBJFPDHILXZOJ-JTQLQIEISA-N
Molecular Weight 210.273 g/mol
SMILES C1(OC(O[C@]1(CC#CCCCC)[H])(C)C)=O
SPLASH splash10-0006-9000000000-3bf7c9883be18b886d08
Source of Spectrum SO-0-221-2
Synonyms (5S)-5-(2-heptynyl)-2,2-dimethyl-1,3-dioxolan-4-one
Wiley ID 877252