5-[bis(2-chloroethyl)amino]resorcinol, trifluoroacetate (1:1) (solvate)

SpectraBase Compound ID	AgDop4RGfIb
InChI	InChI=1S/C10H13Cl2NO2.C2HF3O2/c11-1-3-13(4-2-12)8-5-9(14)7-10(15)6-8;3-2(4,5)1(6)7/h5-7,14-15H,1-4H2;(H,6,7)
InChIKey	HEJHDCJORBQCDF-UHFFFAOYSA-N Google Search
Mol Weight	364.148 g/mol
Molecular Formula	C12H14Cl2F3NO4
Exact Mass	363.025198 g/mol

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SpectraBase Spectrum ID	E5kUJ4wdXuK
Name	5-[BIS(2-CHLOROETHYL)AMINO]RESORCINOL, TRIFLUOROACETATE (1:1) (SOLVATE)
Source of Sample	M. A. Thorn, Merck Sharp & Dohme Research Laboratories, Rahway, New Jersey
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H14Cl2F3NO4
InChI	InChI=1S/C10H13Cl2NO2.C2HF3O2/c11-1-3-13(4-2-12)8-5-9(14)7-10(15)6-8;3-2(4,5)1(6)7/h5-7,14-15H,1-4H2;(H,6,7)
InChIKey	HEJHDCJORBQCDF-UHFFFAOYSA-N
Literature Reference	J. ORG. CHEM, 40, 1556(1975)
Melting Point	138-143C
Molecular Weight	364.147003
Synonyms	RESORCINOL, 5-/BIS/2-CHLOROETHYL/- AMINO/-, TRIFLUOROACETATE /1 TO 1/ /SOLVATE/
Technique	KBr WAFER