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threo-3-(p-CUMENYL)-6,6-DIMETHYL-2-(p-NITROPHENYL)-5-OXOHEPTANOIC ACID

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threo-3-(p-CUMENYL)-6,6-DIMETHYL-2-(p-NITROPHENYL)-5-OXOHEPTANOIC ACID
SpectraBase Compound ID 7YIEbOiIDuW
InChI InChI=1S/C24H29NO5/c1-15(2)16-6-8-17(9-7-16)20(14-21(26)24(3,4)5)22(23(27)28)18-10-12-19(13-11-18)25(29)30/h6-13,15,20,22H,14H2,1-5H3,(H,27,28)/t20-,22-/s2
InChIKey PYWQQDWIIBUAEF-MGRUGCKGSA-N
Mol Weight 411.5 g/mol
Molecular Formula C24H29NO5
Exact Mass 411.204573 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JTQcXiKEqb9
Name threo-3-(p-CUMENYL)-6,6-DIMETHYL-2-(p-NITROPHENYL)-5-OXOHEPTANOIC ACID
Source of Sample L. Fisnerova, Research Institute of Pharmacy & Biochemistry, Prague, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29NO5
InChI InChI=1S/C24H29NO5/c1-15(2)16-6-8-17(9-7-16)20(14-21(26)24(3,4)5)22(23(27)28)18-10-12-19(13-11-18)25(29)30/h6-13,15,20,22H,14H2,1-5H3,(H,27,28)/t20-,22-/s2
InChIKey PYWQQDWIIBUAEF-MGRUGCKGSA-N
Literature Reference Abstract-Chemical Abstracts= 85, 46150(1976)
Melting Point 170-172C
Molecular Weight 411.497986
Synonyms HEPTANOIC ACID, 3-/P-CUMENYL/- 6,6-DIMETHYL-2-/P-NITROPHENYL/-5-OXO-, THREO-,
Technique KBr WAFER