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3-chloro-1-pentanol, 3,5-dinitrobenzoate

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

3-chloro-1-pentanol, 3,5-dinitrobenzoate
SpectraBase Compound ID 560TiY7rPgC
InChI InChI=1S/C12H13ClN2O6/c1-2-9(13)3-4-21-12(16)8-5-10(14(17)18)7-11(6-8)15(19)20/h5-7,9H,2-4H2,1H3
InChIKey HCYGKLFWGDRNFC-UHFFFAOYSA-N
Mol Weight 316.7 g/mol
Molecular Formula C12H13ClN2O6
Exact Mass 316.046214 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2k3uyrSYJ5r
Name 3-CHLORO-1-PENTANOL, 3,5-DINITROBENZOATE
Source of Sample P. R. Stapp, Phillips Petroleum Company, Bartlesville, Oklahoma
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN2O6
InChI InChI=1S/C12H13ClN2O6/c1-2-9(13)3-4-21-12(16)8-5-10(14(17)18)7-11(6-8)15(19)20/h5-7,9H,2-4H2,1H3
InChIKey HCYGKLFWGDRNFC-UHFFFAOYSA-N
Literature Reference JOCE 34, 479(1969)
Melting Point 76-77C
Molecular Weight 316.694000
Synonyms 3,5-DINITROBENZOIC ACID, 3-CHLOROPENTYL ESTER 1-PENTANOL, 3-CHLORO-, 3,5-DINITRO- BENZOATE BENZOIC ACID, 3,5-DINITRO-, 3- CHLOROPENTYL ESTER
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