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Benzenesulfonic acid, 4-methoxy-, 2,2-dimethylpropyl ester
SpectraBase Compound ID LTDQWvKOvnm
InChI InChI=1S/C12H18O4S/c1-12(2,3)9-16-17(13,14)11-7-5-10(15-4)6-8-11/h5-8H,9H2,1-4H3
InChIKey VCTVPADQXALNNB-UHFFFAOYSA-N
Mol Weight 258.33 g/mol
Molecular Formula C12H18O4S
Exact Mass 258.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfPJ4SiMdb1
Name Benzenesulfonic acid, 4-methoxy-, 2,2-dimethylpropyl ester
CAS Registry Number 81390-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4S
InChI InChI=1S/C12H18O4S/c1-12(2,3)9-16-17(13,14)11-7-5-10(15-4)6-8-11/h5-8H,9H2,1-4H3
InChIKey VCTVPADQXALNNB-UHFFFAOYSA-N
Molecular Weight 258.332 g/mol
SMILES c1(S(OCC(C)(C)C)(=O)=O)ccc(cc1)OC
SPLASH splash10-0abi-3910000000-cb01f8eebc0847c57275
Source of Spectrum O-20-749-4
Synonyms neopentyl 4-methoxybenzenesulfonate Neopentyl para-methoxybenzenesulphonate
Wiley ID 1261395