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Sulfuric acid, 4-acetylphenyl propyl ester
SpectraBase Compound ID A4C4qDmPKV
InChI InChI=1S/C11H14O5S/c1-3-4-10-7-9(8(2)12)5-6-11(10)16-17(13,14)15/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKey WHNYTENIKHPOCC-UHFFFAOYSA-N
Mol Weight 258.29 g/mol
Molecular Formula C11H14O5S
Exact Mass 258.056195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bsqx0TGox4
Name Sulfuric acid, 4-acetylphenyl propyl ester
Alternate Name(s) 4-Acetyl-2-propylphenyl hydrogen sulfate Propyl-p-acetylphenyl sulfate
CAS Registry Number 69363-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5S
InChI InChI=1S/C11H14O5S/c1-3-4-10-7-9(8(2)12)5-6-11(10)16-17(13,14)15/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKey WHNYTENIKHPOCC-UHFFFAOYSA-N
Molecular Weight 258.288 g/mol
SMILES OS(Oc1c(cc(cc1)C(=O)C)CCC)(=O)=O
SPLASH splash10-00di-0900000000-6e3d24210be9ba8a0f09
Source of Spectrum KO-5-415-3
Wiley ID 1261289