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(2-13C)-2-(2,5,5-Trimethyl-1,3-dioxan-2-yl)ethan-1-ol
SpectraBase Compound ID 9KwTr5AcsPt
InChI InChI=1S/C9H18O3/c1-8(2)6-11-9(3,4-5-10)12-7-8/h10H,4-7H2,1-3H3/i4+1
InChIKey BZTYJEJBQGKZQZ-AZXPZELESA-N
Mol Weight 175.23 g/mol
Molecular Formula C813CH18O3
Exact Mass 175.128949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID o9clW54boK
Name (2-13C)-2-(2,5,5-Trimethyl-1,3-dioxan-2-yl)ethan-1-ol
Appearance Colourless oil
Comments Original formula: C8[13C]H18O3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-8(2)6-11-9(3,4-5-10)12-7-8/h10H,4-7H2,1-3H3/i4+1
InChIKey BZTYJEJBQGKZQZ-AZXPZELESA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812216
Molecular Weight 175.232 g/mol
SMILES [13CH2](C1(OCC(CO1)(C)C)C)CO
SPLASH splash10-006x-9200000000-3d63259978d6077772a7
Source of Spectrum ACI-58-SM62-S14
Thin-Layer Chromatography Rf = 0.13 (cyclohexane/EtOAc, 5:1)
Wiley ID 1840420