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4-[bis(2-chloroethyl)amino]-2-fluoro-benzoic acid tert-butyl ester
SpectraBase Compound ID 6vFQsWVJ3pJ
InChI InChI=1S/C15H20Cl2FNO2/c1-15(2,3)21-14(20)12-5-4-11(10-13(12)18)19(8-6-16)9-7-17/h4-5,10H,6-9H2,1-3H3
InChIKey YFXXRNILIXUQND-UHFFFAOYSA-N
Mol Weight 336.23 g/mol
Molecular Formula C15H20Cl2FNO2
Exact Mass 335.085512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVGaayIpn2C
Name 4-[bis(2-chloroethyl)amino]-2-fluoro-benzoic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20Cl2FNO2
InChI InChI=1S/C15H20Cl2FNO2/c1-15(2,3)21-14(20)12-5-4-11(10-13(12)18)19(8-6-16)9-7-17/h4-5,10H,6-9H2,1-3H3
InChIKey YFXXRNILIXUQND-UHFFFAOYSA-N
Molecular Weight 336.234 g/mol
SMILES C(c1c(cc(cc1)N(CCCl)CCCl)F)(=O)OC(C)(C)C
SPLASH splash10-001i-0091000000-a324698d9538712c1264
Source of Spectrum E1-37-2368-31
Synonyms tert-Butyl 4-[bis(2-chloroethyl)amino]-2-fluoranyl-benzoate tert-Butyl 4-[bis(2-chloroethyl)amino]-2-fluoro-benzoate 4-[bis(2-chloroethyl)amino]-2-fluorobenzoic acid tert-butyl ester
Wiley ID 1575153