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

*Links on SpectraBase are not permalinks.
1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-6-(methyl-D3)-, (2R-trans)-
SpectraBase Compound ID JYgpD62BxFi
InChI InChI=1S/C10H18O3/c1-9(2,3)8-12-7(11)6-10(4,5)13-8/h8H,6H2,1-5H3/t8-/m0/s1/i4D3/t8-,10+
InChIKey ULAREYUOECVIHI-TVCMAQOTSA-N
Mol Weight 189.27 g/mol
Molecular Formula C10H152D3O3
Exact Mass 189.144425 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 2iDUWNtIjii
Name 1,3-Dioxan-4-one, 2-(1,1-dimethylethyl)-6-methyl-6-(methyl-D3)-, (2R-trans)-
Alternate Name(s) (2R,6S)-2-tert-butyl-6-methyl-6-(trideuteriomethyl)-1,3-dioxan-4-one
CAS Registry Number 114885-83-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15D3O3
InChI InChI=1S/C10H18O3/c1-9(2,3)8-12-7(11)6-10(4,5)13-8/h8H,6H2,1-5H3/t8-/m0/s1/i4D3/t8-,10+
InChIKey ULAREYUOECVIHI-TVCMAQOTSA-N
Molecular Weight 189.269 g/mol
SMILES [C@]1(OC(C[C@](O1)(C)C([2D])([2D])[2D])=O)(C(C)(C)C)[H]
SPLASH splash10-052r-9000000000-c217acc6c3339874841a
Source of Spectrum C-110-4770-5
Wiley ID 1182925