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Diethyl 2-[[(3'-methoxy-3'-oxopropyl)sulfanyl](p-chlorophenyl) methyl]-malonate
SpectraBase Compound ID BU1CKIL906Y
InChI InChI=1S/C18H23ClO6S/c1-4-24-17(21)15(18(22)25-5-2)16(26-11-10-14(20)23-3)12-6-8-13(19)9-7-12/h6-9,15-16H,4-5,10-11H2,1-3H3
InChIKey VAYLBWMOBXAAHA-UHFFFAOYSA-N
Mol Weight 402.89 g/mol
Molecular Formula C18H23ClO6S
Exact Mass 402.090387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vT5YxGmYNG
Name Diethyl 2-[[(3'-methoxy-3'-oxopropyl)sulfanyl](p-chlorophenyl) methyl]-malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23ClO6S
InChI InChI=1S/C18H23ClO6S/c1-4-24-17(21)15(18(22)25-5-2)16(26-11-10-14(20)23-3)12-6-8-13(19)9-7-12/h6-9,15-16H,4-5,10-11H2,1-3H3
InChIKey VAYLBWMOBXAAHA-UHFFFAOYSA-N
Molecular Weight 402.889 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C(c1ccc(cc1)Cl)SCCC(=O)OC
SPLASH splash10-00ko-9361000000-29100b597b71c0ee144a
Source of Spectrum AH-140-207-4c
Wiley ID 1696064