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4-(1,7-Dioxa-spiro<5.5>undec-4-en-2-yl)-2-hydroxy-2-methyl-butyl toluene-P-sulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(1,7-Dioxa-spiro<5.5>undec-4-en-2-yl)-2-hydroxy-2-methyl-butyl toluene-P-sulfonate
SpectraBase Compound ID B9kuG2sZE0E
InChI InChI=1S/C21H30O6S/c1-17-7-9-19(10-8-17)28(23,24)26-16-20(2,22)14-11-18-6-5-13-21(27-18)12-3-4-15-25-21/h5,7-10,13,18,22H,3-4,6,11-12,14-16H2,1-2H3
InChIKey YATAEDRYJICKRF-UHFFFAOYSA-N
Mol Weight 410.53 g/mol
Molecular Formula C21H30O6S
Exact Mass 410.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PfJItwHSZf
Name 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-hydroxy-2-methylbutyl toluene-p-sulphonate
Alternate Name(s) 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-hydroxy-2-methylbutyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O6S
InChI InChI=1S/C21H30O6S/c1-17-7-9-19(10-8-17)28(23,24)26-16-20(2,22)14-11-18-6-5-13-21(27-18)12-3-4-15-25-21/h5,7-10,13,18,22H,3-4,6,11-12,14-16H2,1-2H3
InChIKey YATAEDRYJICKRF-UHFFFAOYSA-N
Molecular Weight 410.525 g/mol
SMILES OC(COS(c1ccc(cc1)C)(=O)=O)(CCC1OC2(OCCCC2)C=CC1)C
SPLASH splash10-00di-0921000000-eed6562db237ecd7fa83
Source of Spectrum KC-1991-2226-8
Wiley ID 1373578