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4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoro-benzoic acid tert-butyl ester
SpectraBase Compound ID 3QmZgsAUe6f
InChI InChI=1S/C16H23ClFNO5S/c1-16(2,3)24-15(20)13-6-5-12(11-14(13)18)19(8-7-17)9-10-23-25(4,21)22/h5-6,11H,7-10H2,1-4H3
InChIKey MMOWBKBPPCIDEY-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 1g9nC8f8uaG
Name 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoro-benzoic acid tert-butyl ester
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Formula C16H23ClFNO5S
InChI InChI=1S/C16H23ClFNO5S/c1-16(2,3)24-15(20)13-6-5-12(11-14(13)18)19(8-7-17)9-10-23-25(4,21)22/h5-6,11H,7-10H2,1-4H3
InChIKey MMOWBKBPPCIDEY-UHFFFAOYSA-N
Molecular Weight 395.873 g/mol
SMILES C(c1c(cc(cc1)N(CCOS(=O)(=O)C)CCCl)F)(=O)OC(C)(C)C
SPLASH splash10-001l-0092000000-e67d2f7c904b3babbbd4
Source of Spectrum E1-37-2368-30
Synonyms tert-Butyl 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluoranyl-benzoate 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluorobenzoic acid tert-butyl ester tert-Butyl 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-2-fluorobenzoate
Wiley ID 1575151