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(2R,5S)-2-tert-Butyl-5,6,6-trimethyl-1,3-dioxan-4-one
SpectraBase Compound ID LTOIGFuSBGE
InChI InChI=1S/C11H20O3/c1-7-8(12)13-9(10(2,3)4)14-11(7,5)6/h7,9H,1-6H3/t7-,9+/m1/s1
InChIKey VMASTDORQIZUSK-APPZFPTMSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRnNGlq7YfK
Name (2R,5S)-2-tert-Butyl-5,6,6-trimethyl-1,3-dioxan-4-one
CAS Registry Number 129097-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-7-8(12)13-9(10(2,3)4)14-11(7,5)6/h7,9H,1-6H3/t7-,9+/m1/s1
InChIKey VMASTDORQIZUSK-APPZFPTMSA-N
Molecular Weight 200.278 g/mol
SMILES C1(O[C@](C(C)(C)C)(OC([C@@]1(C)[H])(C)C)[H])=O
SPLASH splash10-0abd-9000000000-ef9ce0852b33c67a805b
Source of Spectrum K-123-2435-0
Wiley ID 1197741