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(S)-5-tert-butyl-2-cyclohexen-1-one (2S,3S)-2,3-butanediol ketal
SpectraBase Compound ID 8vyslCXzSFh
InChI InChI=1S/C14H24O2/c1-13(2,3)12-7-6-8-14(11-12)15-9-4-5-10-16-14/h6,8,12H,4-5,7,9-11H2,1-3H3/t12-/m0/s1
InChIKey UQOBFIBJFHKQGW-LBPRGKRZSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDoAFT8urds
Name (S)-5-tert-butyl-2-cyclohexen-1-one (2S,3S)-2,3-butanediol ketal
CAS Registry Number 125514-91-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-13(2,3)12-7-6-8-14(11-12)15-9-4-5-10-16-14/h6,8,12H,4-5,7,9-11H2,1-3H3/t12-/m0/s1
InChIKey UQOBFIBJFHKQGW-LBPRGKRZSA-N
Molecular Weight 224.344 g/mol
SMILES C12(C[C@@](C(C)(C)C)(CC=C2)[H])OCCCCO1
SPLASH splash10-0006-7900000000-b303e5c2945f6c998971
Source of Spectrum J-55-2059-12
Synonyms (4S)-4-tert-butyl-7,12-dioxaspiro[5.6]dodec-1-ene
Wiley ID 1225660