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(2S,6S)-2-(2-(Phenyl)ethyl)-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID GarWj6hptme
InChI InChI=1S/C17H22O3/c18-15-12-16(9-8-14-6-2-1-3-7-14)20-17(13-15)10-4-5-11-19-17/h1-3,6-7,16H,4-5,8-13H2/t16-,17-/m0/s1
InChIKey VWQUVKWIYFWYJC-IRXDYDNUSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Yxl9Ob3WUa
Name (2S,6S)-2-(2-(Phenyl)ethyl)-1,7-dioxaspiro[5.5]undecan-4-one
Alternate Name(s) (2S,6S)-2-phenethyl-1,7-dioxaspiro[5.5]undecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c18-15-12-16(9-8-14-6-2-1-3-7-14)20-17(13-15)10-4-5-11-19-17/h1-3,6-7,16H,4-5,8-13H2/t16-,17-/m0/s1
InChIKey VWQUVKWIYFWYJC-IRXDYDNUSA-N
Literature Reference DOI 10.1002/adsc.200800154
Molecular Weight 274.360 g/mol
SMILES [C@]12(O[C@@](CCc3ccccc3)(CC(=O)C1)[H])OCCCC2
SPLASH splash10-002f-9710000000-9ba7718ae43681e5baee
Source of Spectrum ASC-350-1736/SM97-97_3
Wiley ID 1768194