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(E)-4-tosylbutenone dimethyl ketal
SpectraBase Compound ID A2J5Q6xPCN6
InChI InChI=1S/C13H18O4S/c1-5-13(16-3,17-4)10-18(14,15)12-8-6-11(2)7-9-12/h5-9H,1,10H2,2-4H3
InChIKey SZMMZCLZYLSHMQ-UHFFFAOYSA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zFoj5Dz03O
Name (E)-4-tosylbutenone dimethyl ketal
Alternate Name(s) 1-[(2,2-dimethoxy-3-butenyl)sulfonyl]-4-methylbenzene 2,2-Dimethoxy-3-butenyl 4-methylphenyl sulfone
CAS Registry Number 115562-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-5-13(16-3,17-4)10-18(14,15)12-8-6-11(2)7-9-12/h5-9H,1,10H2,2-4H3
InChIKey SZMMZCLZYLSHMQ-UHFFFAOYSA-N
Molecular Weight 270.343 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C=C)(OC)OC
SPLASH splash10-00li-9420000000-b9c9153f826f7956d9c5
Source of Spectrum J-53-4712-12
Wiley ID 1273835