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1,7-Dioxaspiro[5.5]undec-4-en-3-one, 2-(1-methylethyl)-, trans-(.+-.)-
SpectraBase Compound ID JLqWzJ4pHTh
InChI InChI=1S/C12H18O3/c1-9(2)11-10(13)5-7-12(15-11)6-3-4-8-14-12/h5,7,9,11H,3-4,6,8H2,1-2H3/t11-,12+/m1/s1
InChIKey AKKOSQGTXDVGIF-NEPJUHHUSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O9HkWgo4xL
Name 1,7-Dioxaspiro[5.5]undec-4-en-3-one, 2-(1-methylethyl)-, trans-(.+-.)-
CAS Registry Number 112897-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-9(2)11-10(13)5-7-12(15-11)6-3-4-8-14-12/h5,7,9,11H,3-4,6,8H2,1-2H3/t11-,12+/m1/s1
InChIKey AKKOSQGTXDVGIF-NEPJUHHUSA-N
Molecular Weight 210.273 g/mol
SMILES [C@@]12(O[C@@](C(C=C2)=O)(C(C)C)[H])OCCCC1
SPLASH splash10-052r-5900000000-f4bf096b22b7e2ae80a1
Source of Spectrum C-110-1906-14
Synonyms (2R,6S)-2-isopropyl-1,7-dioxaspiro[5.5]undec-4-en-3-one trans-2-(1-methylethyl)-1,7-dioxaspiro[5.5]undec-4-en-3-one
Wiley ID 1209205