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3,5-dinitrobenzoic acid, ester with 5-(2-hydroxyethyl)-5-(1-methylbutyl)barbituric acid
SpectraBase Compound ID KI7gCxl32jD
InChI InChI=1S/C18H20N4O9/c1-3-4-10(2)18(15(24)19-17(26)20-16(18)25)5-6-31-14(23)11-7-12(21(27)28)9-13(8-11)22(29)30/h7-10H,3-6H2,1-2H3,(H2,19,20,24,25,26)
InChIKey LWFCQCZPAUXUJR-UHFFFAOYSA-N
Mol Weight 436.38 g/mol
Molecular Formula C18H20N4O9
Exact Mass 436.123028 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GeWVXtrtu0m
Name 3,5-DINITROBENZOIC ACID, ESTER WITH 5-(2-HYDROXYETHYL)-5-(1-METHYLBUTYL)BARBITURIC ACID
Source of Sample R. Preuss, University of Freiburg, Freiburg, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N4O9
InChI InChI=1S/C18H20N4O9/c1-3-4-10(2)18(15(24)19-17(26)20-16(18)25)5-6-31-14(23)11-7-12(21(27)28)9-13(8-11)22(29)30/h7-10H,3-6H2,1-2H3,(H2,19,20,24,25,26)
InChIKey LWFCQCZPAUXUJR-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 69, 86936(1968)
Melting Point 200-201C
Molecular Weight 436.377014
Synonyms BENZOIC ACID, 3,5-DINITRO-, ESTER WITH 5-/2-HYDROXYETHYL/-5-/1-METHYL- BUTYL/BARBITURIC ACID BARBITURIC ACID, 5-/2-HYDROXY- ETHYL/-5-/1-METHYLBUTYL/-, 3,5-DINITRO- BENZOATE /ESTER/
Technique KBr WAFER