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Chloroacetic acid, cholesteryl ester

View entire compound with spectra: 6 NMR, and 1 FTIR

Chloroacetic acid, cholesteryl ester
SpectraBase Compound ID QlTvAzuDY5
InChI InChI=1S/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey XUXXPLDKUZSGKH-OHPSOFBHSA-N
Mol Weight 463.1 g/mol
Molecular Formula C29H47ClO2
Exact Mass 462.326458 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FfUYkU2leDC
Name Chloroacetic acid, cholesteryl ester
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47ClO2
InChI InChI=1S/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey XUXXPLDKUZSGKH-OHPSOFBHSA-N
Melting Point 163C
Molecular Weight 463.15
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHOLESTEROL, CHLOROACETATE ACETIC ACID, CHLORO-, CHOLESTERYL ESTER