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1,3-Propanediol, 2-[(5-ethyltetrahydro-2-methoxy-2H-pyran-2-yl)ethynyl]-, trans-(.+-.)-
SpectraBase Compound ID D0DV7463K0R
InChI InChI=1S/C13H22O4/c1-3-11-4-6-13(16-2,17-10-11)7-5-12(8-14)9-15/h11-12,14-15H,3-4,6,8-10H2,1-2H3/t11-,13+/m0/s1
InChIKey BZKQSLIUJNMNDA-WCQYABFASA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOCiAoqMZPT
Name 1,3-Propanediol, 2-[(5-ethyltetrahydro-2-methoxy-2H-pyran-2-yl)ethynyl]-, trans-(.+-.)-
Alternate Name(s) 2-{[(2R,5S)-5-ethyl-2-methoxytetrahydro-2H-pyran-2-yl]ethynyl}-1,3-propanediol 2.beta.-2-(4-hydroxy-3-hydroxymethylbut-1-ynyl)-5-ethyl-2-methoxytetrahydropyran
CAS Registry Number 130034-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-3-11-4-6-13(16-2,17-10-11)7-5-12(8-14)9-15/h11-12,14-15H,3-4,6,8-10H2,1-2H3/t11-,13+/m0/s1
InChIKey BZKQSLIUJNMNDA-WCQYABFASA-N
Molecular Weight 242.315 g/mol
SMILES OCC(CO)C#C[C@@]1(OC[C@](CC1)(CC)[H])OC
SPLASH splash10-0bvi-0920000000-862d044e2bad0a881702
Source of Spectrum KC-1990-1419-18
Wiley ID 1244962