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4-[bis(2-chloroethyl)amino]-3-fluoro-benzoic acid tert-butyl ester
SpectraBase Compound ID IkiVmkU7GBV
InChI InChI=1S/C15H20Cl2FNO2/c1-15(2,3)21-14(20)11-4-5-13(12(18)10-11)19(8-6-16)9-7-17/h4-5,10H,6-9H2,1-3H3
InChIKey VHSZMNCDBHDUBY-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 EAWD0leHfUo
Name 4-[bis(2-chloroethyl)amino]-3-fluoro-benzoic acid tert-butyl ester
Alternate Name(s) tert-Butyl 4-[bis(2-chloroethyl)amino]-3-fluoranyl-benzoate tert-Butyl 4-[bis(2-chloroethyl)amino]-3-fluoro-benzoate 4-[bis(2-chloroethyl)amino]-3-fluorobenzoic acid tert-butyl ester
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Formula C15H20Cl2FNO2
InChI InChI=1S/C15H20Cl2FNO2/c1-15(2,3)21-14(20)11-4-5-13(12(18)10-11)19(8-6-16)9-7-17/h4-5,10H,6-9H2,1-3H3
InChIKey VHSZMNCDBHDUBY-UHFFFAOYSA-N
Molecular Weight 336.234 g/mol
SMILES C(c1cc(c(cc1)N(CCCl)CCCl)F)(=O)OC(C)(C)C
SPLASH splash10-0019-0093000000-35c93ea49aedc1cd08c9
Source of Spectrum E1-37-2369-38
Wiley ID 1575143