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1-Penten-3-one, 1-[(1,1-dimethylethyl)thio]-5-(1,3-dioxan-2-yl)-, (Z)-
SpectraBase Compound ID E3nsLTcHhV9
InChI InChI=1S/C13H22O3S/c1-13(2,3)17-10-7-11(14)5-6-12-15-8-4-9-16-12/h7,10,12H,4-6,8-9H2,1-3H3/b10-7-
InChIKey MGOZKZSSXBEPRX-YFHOEESVSA-N
Mol Weight 258.38 g/mol
Molecular Formula C13H22O3S
Exact Mass 258.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Nf5Z5S0Big
Name 1-Penten-3-one, 1-[(1,1-dimethylethyl)thio]-5-(1,3-dioxan-2-yl)-, (Z)-
CAS Registry Number 120454-14-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3S
InChI InChI=1S/C13H22O3S/c1-13(2,3)17-10-7-11(14)5-6-12-15-8-4-9-16-12/h7,10,12H,4-6,8-9H2,1-3H3/b10-7-
InChIKey MGOZKZSSXBEPRX-YFHOEESVSA-N
Molecular Weight 258.376 g/mol
SMILES C(S\C=C/C(=O)CCC1OCCCO1)(C)(C)C
SPLASH splash10-0zg0-9120000000-6ea17157a13875b7d458
Source of Spectrum B-41-895-30
Synonyms (1Z)-1-(tert-butylsulfanyl)-5-(1,3-dioxan-2-yl)-1-penten-3-one 1-(t-butylthio)-5-(1',3'-dioxan-2'-yl)pent-1-en-3-one
Wiley ID 1261547