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1-Propanol, 2,2-dimethyl-, 4-methylbenzenesulfonate
SpectraBase Compound ID HQow6xrNU86
InChI InChI=1S/C12H18O3S/c1-10-5-7-11(8-6-10)16(13,14)15-9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKey ZIUSUDLSXJPGTD-UHFFFAOYSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Klh7w1FY5Jt
Name 1-Propanol, 2,2-dimethyl-, 4-methylbenzenesulfonate
CAS Registry Number 2346-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c1-10-5-7-11(8-6-10)16(13,14)15-9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKey ZIUSUDLSXJPGTD-UHFFFAOYSA-N
Molecular Weight 242.333 g/mol
SMILES c1(S(=O)(=O)OCC(C)(C)C)ccc(C)cc1
SPLASH splash10-0a4r-8900000000-48f9960b30bcdad7fb96
Source of Spectrum O-20-749-6
Synonyms 1-Propanol, 2,2-dimethyl-, p-toluenesulfonate 2,2-Dimethylpropyl 4-methylbenzenesulfonate Neopentyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 2,2-dimethylpropyl ester 4-Methylbenzenesulfonic acid neopentyl ester Neopentyl alcohol, p-toluenesulfonate Neopentyl p-toluenesulfonate Neopentyl tosylate
Wiley ID 1244796