For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(R/S)-(1-13C,1-2H2)-2-(2,5,5-Trimethyl-1,3-dioxan-2-yl)ethan-1-ol
SpectraBase Compound ID 63fEE70y0vs
InChI InChI=1S/C9H18O3/c1-8(2)6-11-9(3,4-5-10)12-7-8/h10H,4-7H2,1-3H3/i5+1D2
InChIKey BZTYJEJBQGKZQZ-XCFCCHCNSA-N
Mol Weight 177.24 g/mol
Molecular Formula C813CH16D2O3
Exact Mass 177.141503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DLQQy9Jq6LL
Name (1-13C,1,1-2H2)-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethan-1-ol
Comments Original formula: C8[13C]H16D2O3
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/i5+1D2
InChIKey BZTYJEJBQGKZQZ-XCFCCHCNSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905827
Molecular Weight 177.245 g/mol
SMILES O[13C](CC1(OCC(C)(CO1)C)C)([D])[D]
SPLASH splash10-00mo-9200000000-2df1fd46ca2b8f316150
Source of Spectrum QE-26-SM122-S12
Thin-Layer Chromatography Rf = 0.25 (Cyclohexane/EA, 2/1)
Wiley ID 1858523