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

*Links on SpectraBase are not permalinks.
1,5,7-Trioxaspiro[5.5]undecane, 2-propanone deriv.
SpectraBase Compound ID DCkfu5OvJs4
InChI InChI=1S/C13H22O4/c1-9-4-6-13(16-11(9)3)15-7-5-12(17-13)8-10(2)14/h9,11-12H,4-8H2,1-3H3/t9-,11+,12+,13-/m0/s1
InChIKey DUYCAOSAAMELNF-SQNXGDPESA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 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 3KrCPYcCxrU
Name 1,5,7-Trioxaspiro[5.5]undecane, 2-propanone deriv.
CAS Registry Number 114180-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-9-4-6-13(16-11(9)3)15-7-5-12(17-13)8-10(2)14/h9,11-12H,4-8H2,1-3H3/t9-,11+,12+,13-/m0/s1
InChIKey DUYCAOSAAMELNF-SQNXGDPESA-N
Molecular Weight 242.315 g/mol
SMILES [C@@]12(O[C@](C)([C@](CC2)(C)[H])[H])O[C@@](CC(=O)C)(CCO1)[H]
SPLASH splash10-052f-9300000000-5a283994654bbf518172
Source of Spectrum KC-1987-2175-8
Synonyms 2-Propanone, 1-(8,9-dimethyl-1,5,7-trioxaspiro[5.5]undec-2-yl)-, [6S-[6.alpha.(R*),8.alpha.,9.beta.]]- (2R,6R,8R,9S)-8,9-dimethyl-2-(2-oxopropyl)-1,5,7-trioxaspiro[5.5]undecane 1-[(2R,6R,8R,9S)-8,9-dimethyl-1,5,7-trioxaspiro[5.5]undec-2-yl]acetone
Wiley ID 1244956