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5-NITRO-2-FUROIC ACID, 2-METHYL-2-(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLUIDINO)PROPYL ESTER
SpectraBase Compound ID wBlfCOXQj5
InChI InChI=1S/C16H14F3N3O7/c1-15(2,8-28-14(23)12-5-6-13(29-12)22(26)27)20-10-4-3-9(16(17,18)19)7-11(10)21(24)25/h3-7,20H,8H2,1-2H3
InChIKey XJYFJRVQTYPQNB-UHFFFAOYSA-N
Mol Weight 417.3 g/mol
Molecular Formula C16H14F3N3O7
Exact Mass 417.078384 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JyC6rTrlIwe
Name 5-NITRO-2-FUROIC ACID, 2-METHYL-2-(2-NITRO-alpha,alpha,alpha-TRIFLURO-p-TOLUIDINO)PROPYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number BTB 5491
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14F3N3O7
InChI InChI=1S/C16H14F3N3O7/c1-15(2,8-28-14(23)12-5-6-13(29-12)22(26)27)20-10-4-3-9(16(17,18)19)7-11(10)21(24)25/h3-7,20H,8H2,1-2H3
InChIKey XJYFJRVQTYPQNB-UHFFFAOYSA-N
Melting Point 125-127C
Molecular Weight 417.302002
Synonyms 2-FUROIC ACID, 5-NITRO-, 2-METHYL- 2-/2-NITRO-A,A,A-TRIFLUORO- P-TOLUIDINO/PROPYL ESTER
Technique KBr WAFER