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1-Cyano-2-methyl-1-butenyl benzenesulfonate
SpectraBase Compound ID ChccyIP8rgO
InChI InChI=1S/C12H13NO3S/c1-3-10(2)12(9-13)16-17(14,15)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3
InChIKey UNRGHCNKHRYKBP-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5I9I7b1oSnq
Name 1-Cyano-2-methyl-1-butenyl benzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-3-10(2)12(9-13)16-17(14,15)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3
InChIKey UNRGHCNKHRYKBP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19861190228
Molecular Weight 251.300 g/mol
SMILES C(OS(=O)(=O)c1ccccc1)(C#N)=C(CC)C
SPLASH splash10-004l-9400000000-2adf99d4fc32a8f11b5f
Source of Spectrum K-119-710-4b
Synonyms 1-cyano-2-methylbut-1-en-1-yl benzenesulfonate
Wiley ID 1794462