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3-Chloro-1-butanol, 3,5-dinitrobenzoate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3-Chloro-1-butanol, 3,5-dinitrobenzoate
SpectraBase Compound ID 63tATSIkEu8
InChI InChI=1S/C11H11ClN2O6/c1-7(12)2-3-20-11(15)8-4-9(13(16)17)6-10(5-8)14(18)19/h4-7H,2-3H2,1H3
InChIKey BSJANNVTYBXIEE-UHFFFAOYSA-N
Mol Weight 302.67 g/mol
Molecular Formula C11H11ClN2O6
Exact Mass 302.030564 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 244lRLqyba7
Name 3-CHLORO-1-BUTANOL, 3,5-DINITROBENZOATE
Source of Sample P. R. Stapp, Phillips Petroleum Company, Bartlesville, Oklahoma
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClN2O6
InChI InChI=1S/C11H11ClN2O6/c1-7(12)2-3-20-11(15)8-4-9(13(16)17)6-10(5-8)14(18)19/h4-7H,2-3H2,1H3
InChIKey BSJANNVTYBXIEE-UHFFFAOYSA-N
Literature Reference JOCE 34, 479(1969)
Melting Point 75-76C
Molecular Weight 302.666992
Synonyms 1-BUTANOL, 3-CHLORO-, 3,5-DINITRO- BENZOATE BENZOIC ACID, 3,5-DINITRO-, 3- CHLOROBUTYL ESTER
Technique CAPILLARY CELL: MELT