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4-Methylbenzenesulfonic acid 2-morpholinylmethyl ester

View entire compound with spectra: 1 MS (GC)

4-Methylbenzenesulfonic acid 2-morpholinylmethyl ester
SpectraBase Compound ID 7oE4JAoUH5o
InChI InChI=1S/C12H17NO4S/c1-10-2-4-12(5-3-10)18(14,15)17-9-11-8-13-6-7-16-11/h2-5,11,13H,6-9H2,1H3
InChIKey MXQJJBJWOJSFSD-UHFFFAOYSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPioOnToUoT
Name 4-Methylbenzenesulfonic acid 2-morpholinylmethyl ester
Alternate Name(s) 4-Methylbenzenesulfonic acid morpholin-2-ylmethyl ester morpholin-2-ylmethyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-10-2-4-12(5-3-10)18(14,15)17-9-11-8-13-6-7-16-11/h2-5,11,13H,6-9H2,1H3
InChIKey MXQJJBJWOJSFSD-UHFFFAOYSA-N
Molecular Weight 271.331 g/mol
SMILES N1CCOC(C1)COS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0aba-9000000000-42bda495079f4af00e48
Source of Spectrum F2-41-1938-24
Wiley ID 1599651