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4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoic acid tert-butyl ester
SpectraBase Compound ID J5vSz02ZXck
InChI InChI=1S/C16H23ClFNO5S/c1-16(2,3)24-15(20)12-5-6-14(13(18)11-12)19(8-7-17)9-10-23-25(4,21)22/h5-6,11H,7-10H2,1-4H3
InChIKey KIGDRPJGLQKAKQ-UHFFFAOYSA-N
Mol Weight 395.87 g/mol
Molecular Formula C16H23ClFNO5S
Exact Mass 395.09695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j0fSR5hX7S
Name 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23ClFNO5S
InChI InChI=1S/C16H23ClFNO5S/c1-16(2,3)24-15(20)12-5-6-14(13(18)11-12)19(8-7-17)9-10-23-25(4,21)22/h5-6,11H,7-10H2,1-4H3
InChIKey KIGDRPJGLQKAKQ-UHFFFAOYSA-N
Molecular Weight 395.873 g/mol
SMILES C(c1cc(c(cc1)N(CCOS(=O)(=O)C)CCCl)F)(=O)OC(C)(C)C
SPLASH splash10-001i-0091000000-40a14cc6f23eb782178b
Source of Spectrum E1-37-2369-37
Synonyms tert-Butyl 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-benzoate 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoic acid tert-butyl ester tert-Butyl 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoate
Wiley ID 1575144