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(E)-4-deuterio-4-tosylbutenone dimethyl ketal
SpectraBase Compound ID 1OXbQrPhdkx
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/i10D
InChIKey SZMMZCLZYLSHMQ-MMIHMFRQSA-N
Mol Weight 271.35 g/mol
Molecular Formula C13H172DO4S
Exact Mass 271.098857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52vAJiu4RDI
Name (E)-4-deuterio-4-tosylbutenone dimethyl ketal
CAS Registry Number 115562-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17DO4S
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/i10D
InChIKey SZMMZCLZYLSHMQ-MMIHMFRQSA-N
Molecular Weight 271.349 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(C=C)(OC)OC)[2D]
SPLASH splash10-00li-9500000000-0233b03e92df98677d77
Source of Spectrum J-53-4712-14
Wiley ID 1273842