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1,1-Dimethoxy-3-tosyl-4-heptanone
SpectraBase Compound ID 8DQWX0PAvDC
InChI InChI=1S/C16H24O5S/c1-5-6-14(17)15(11-16(20-3)21-4)22(18,19)13-9-7-12(2)8-10-13/h7-10,15-16H,5-6,11H2,1-4H3
InChIKey QQMFEQVRNMURRU-UHFFFAOYSA-N
Mol Weight 328.42 g/mol
Molecular Formula C16H24O5S
Exact Mass 328.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9ngi8xtpPn
Name 1,1-Dimethoxy-3-tosyl-4-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O5S
InChI InChI=1S/C16H24O5S/c1-5-6-14(17)15(11-16(20-3)21-4)22(18,19)13-9-7-12(2)8-10-13/h7-10,15-16H,5-6,11H2,1-4H3
InChIKey QQMFEQVRNMURRU-UHFFFAOYSA-N
Molecular Weight 328.423 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(CC(OC)OC)C(=O)CCC
SPLASH splash10-00b9-9100000000-ead1d88cd2c20affb500
Source of Spectrum F-51-2769-9
Synonyms 1,1-Dimethoxy-3-[(4-methylphenyl)sulfonyl]-4-heptanone
Wiley ID 791123