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Buta-1,3-dien-2-yl 4-methylbenzenesulfonate
SpectraBase Compound ID Iqv5PPLuaa
InChI InChI=1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h4-8H,1,3H2,2H3
InChIKey JLEZJGDXQAANBA-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELMSGoHGeKN
Name Buta-1,3-dien-2-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h4-8H,1,3H2,2H3
InChIKey JLEZJGDXQAANBA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201310280
Molecular Weight 224.274 g/mol
SMILES C(C(=C)OS(=O)(c1ccc(cc1)C)=O)=C
SPLASH splash10-05fu-4900000000-e254e6671dbd310f60ef
Source of Spectrum ACI-53-SMS63-6w
Wiley ID 1782126