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(2R,5S)-2-tert-Butyl-5-ethyl-6,6-dimethyl-1,3-dioxan-4-one
SpectraBase Compound ID FfKBoxzDdLe
InChI InChI=1S/C12H22O3/c1-7-8-9(13)14-10(11(2,3)4)15-12(8,5)6/h8,10H,7H2,1-6H3/t8-,10+/m1/s1
InChIKey KSGULJWXKCAOMR-SCZZXKLOSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69ugzgYPdtP
Name (2R,5S)-2-tert-Butyl-5-ethyl-6,6-dimethyl-1,3-dioxan-4-one
CAS Registry Number 128973-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-7-8-9(13)14-10(11(2,3)4)15-12(8,5)6/h8,10H,7H2,1-6H3/t8-,10+/m1/s1
InChIKey KSGULJWXKCAOMR-SCZZXKLOSA-N
Molecular Weight 214.305 g/mol
SMILES C1(O[C@](C(C)(C)C)(OC([C@@]1(CC)[H])(C)C)[H])=O
SPLASH splash10-07cu-9200000000-f13d34ee787ffbda8a80
Source of Spectrum K-123-2436-10
Wiley ID 1213628