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2-((2-13C)-2,5,5-Trimethyl-1,3-dioxan-2-yl)ethan-1-ol
SpectraBase Compound ID LwZoqMH4Aut
InChI InChI=1S/C9H18O3/c1-8(2)6-11-9(3,4-5-10)12-7-8/h10H,4-7H2,1-3H3/i9+1
InChIKey BZTYJEJBQGKZQZ-QBZHADDCSA-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 JevRVeewe2e
Name 2-((2-13C)-2,5,5-Trimethyl-1,3-dioxan-2-yl)ethan-1-ol
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/i9+1
InChIKey BZTYJEJBQGKZQZ-QBZHADDCSA-N
Instrument Name 5977A GC/MSD system with a 7890B GC and 5977A mass selective detector
Ionization Type EI
Literature Reference DOI 10.1002/anie.202010084
Molecular Weight 175.232 g/mol
SMILES OCC[13C]1(OCC(C)(CO1)C)C
SPLASH splash10-0006-9200000000-169842b60b43a76a3c54
Source of Spectrum ACI-59-SM135-S8
Wiley ID 1858406