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1-Methylbut-3-ynyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

1-Methylbut-3-ynyl 4-methylbenzenesulfonate
SpectraBase Compound ID 5HxSW9lmyhG
InChI InChI=1S/C12H14O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h1,6-9,11H,5H2,2-3H3
InChIKey FUXZPGSGEZVNMH-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZjjl9adoGt
Name 1-Methylbut-3-ynyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h1,6-9,11H,5H2,2-3H3
InChIKey FUXZPGSGEZVNMH-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(CC#C)C
SPLASH splash10-0006-9300000000-4356613acc9b5c32b41c
Source of Spectrum J-58-1905-16
Synonyms 4-Methylbenzenesulfonic acid 1-methylbut-3-ynyl ester 4-Methylbenzenesulfonic acid pent-4-yn-2-yl ester Pent-4-yn-2-yl 4-methylbenzenesulfonate
Wiley ID 1240250