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4-Pentyn-1-yl para-toluenethiosulfonate
SpectraBase Compound ID 9FGy5Hf8UId
InChI InChI=1S/C12H14O2S2/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h1,6-9H,4-5,10H2,2H3
InChIKey DUTJPEHSQTUSDL-UHFFFAOYSA-N
Mol Weight 254.36 g/mol
Molecular Formula C12H14O2S2
Exact Mass 254.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Y4YnGuYVUr
Name 4-Pentyn-1-yl para-toluenethiosulfonate
Alternate Name(s) S-(4-pentynyl) 4-methylbenzenesulfonothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S2
InChI InChI=1S/C12H14O2S2/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h1,6-9H,4-5,10H2,2H3
InChIKey DUTJPEHSQTUSDL-UHFFFAOYSA-N
Molecular Weight 254.362 g/mol
SMILES c1(S(=O)(=O)SCCCC#C)ccc(cc1)C
SPLASH splash10-0006-9500000000-d8b1f53d352f86893022
Source of Spectrum F-52-7787-15
Wiley ID 797036