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1-(2',2'-Dimethyl-1',3'-dioxan-4'-yl)hept-3-yn-2-ol

View entire compound with spectra: 1 MS (GC)

1-(2',2'-Dimethyl-1',3'-dioxan-4'-yl)hept-3-yn-2-ol
SpectraBase Compound ID 9dvXBuIdbPs
InChI InChI=1S/C13H22O3/c1-4-5-6-7-11(14)10-12-8-9-15-13(2,3)16-12/h11-12,14H,4-5,8-10H2,1-3H3
InChIKey GKBNAIODSKXLGU-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvLd0esRnxE
Name 1-(2',2'-Dimethyl-1',3'-dioxan-4'-yl)hept-3-yn-2-ol
Alternate Name(s) 1-(2,2-dimethyl-1,3-dioxan-4-yl)-3-heptyn-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-4-5-6-7-11(14)10-12-8-9-15-13(2,3)16-12/h11-12,14H,4-5,8-10H2,1-3H3
InChIKey GKBNAIODSKXLGU-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES OC(C#CCCC)CC1OC(OCC1)(C)C
SPLASH splash10-0bta-9230000000-ec4bb82055d2eecd00c0
Source of Spectrum U-1996-2139-11
Wiley ID 769226