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3-Methylbut-3-enyl 4-methylbenzenesulfonate
SpectraBase Compound ID 7CgtS902bIt
InChI InChI=1S/C12H16O3S/c1-10(2)8-9-15-16(13,14)12-6-4-11(3)5-7-12/h4-7H,1,8-9H2,2-3H3
InChIKey KKRCXGGGEPQALO-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XiE9BGQOu
Name 3-Methylbut-3-enyl 4-methylbenzenesulfonate
CAS Registry Number 781-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-10(2)8-9-15-16(13,14)12-6-4-11(3)5-7-12/h4-7H,1,8-9H2,2-3H3
InChIKey KKRCXGGGEPQALO-UHFFFAOYSA-N
Molecular Weight 240.317 g/mol
SMILES c1(S(=O)(=O)OCCC(C)=C)ccc(C)cc1
SPLASH splash10-014l-9200000000-25fe8d4015fe17cbfccc
Source of Spectrum C-97-7156-0
Synonyms 4-Methylbenzenesulfonic acid 3-methylbut-3-enyl ester
Wiley ID 1242625