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2-Tosylcaprylic acid ethyl ester
SpectraBase Compound ID 9OG6YdEFlMJ
InChI InChI=1S/C17H26O4S/c1-4-6-7-8-9-16(17(18)21-5-2)22(19,20)15-12-10-14(3)11-13-15/h10-13,16H,4-9H2,1-3H3
InChIKey NSELUZYKLBMGBD-UHFFFAOYSA-N
Mol Weight 326.45 g/mol
Molecular Formula C17H26O4S
Exact Mass 326.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5nIW3pQXXK
Name 2-Tosylcaprylic acid ethyl ester
Alternate Name(s) Ethyl 2-(p-tolylsulfonyl)octanoate Ethyl 2-[(4-methylphenyl)sulfonyl]octanoate 2-(4-Methylphenyl)sulfonyloctanoic acid ethyl ester
CAS Registry Number 124358-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4S
InChI InChI=1S/C17H26O4S/c1-4-6-7-8-9-16(17(18)21-5-2)22(19,20)15-12-10-14(3)11-13-15/h10-13,16H,4-9H2,1-3H3
InChIKey NSELUZYKLBMGBD-UHFFFAOYSA-N
Molecular Weight 326.451 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=O)OCC)CCCCCC
SPLASH splash10-0006-9630000000-68e63d156f9f7381f607
Source of Spectrum J-55-1126-10
Wiley ID 1324664