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Benzenemethanol, 6-(methoxymethyl)-2,4-dimethyl-.alpha.-1-propynyl-3-[2-[(tetrahydro-2 H-pyran-2-yl)oxy]ethyl]-
SpectraBase Compound ID AbGLhZ6JScw
InChI InChI=1S/C21H30O4/c1-5-8-19(22)21-16(3)18(15(2)13-17(21)14-23-4)10-12-25-20-9-6-7-11-24-20/h13,19-20,22H,6-7,9-12,14H2,1-4H3
InChIKey KNWHCTQANOXBLI-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BG6wbv4Ma7
Name Benzenemethanol, 6-(methoxymethyl)-2,4-dimethyl-.alpha.-1-propynyl-3-[2-[(tetrahydro-2 H-pyran-2-yl)oxy]ethyl]-
Alternate Name(s) 1-((3-(2-(tetrahydro-2H-pyran-2-yl)oxyethyl)-6-methoxymethyl-2,4-dimethyl)phenyl)-2-butyn-1-ol 1-{6-(methoxymethyl)-2,4-dimethyl-3-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]phenyl}-2-butyn-1-ol
CAS Registry Number 79801-61-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-5-8-19(22)21-16(3)18(15(2)13-17(21)14-23-4)10-12-25-20-9-6-7-11-24-20/h13,19-20,22H,6-7,9-12,14H2,1-4H3
InChIKey KNWHCTQANOXBLI-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES OC(C#CC)c1c(c(c(cc1COC)C)CCOC1OCCCC1)C
SPLASH splash10-000i-9000000000-ccb8d02a79c1c0dd0303
Source of Spectrum I-59-2166-0
Wiley ID 1339487