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Poly[1-(cholesteryloxyphthaloyloxy)ethylene]

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

Poly[1-(cholesteryloxyphthaloyloxy)ethylene]
SpectraBase Compound ID HgrTWhPV6DF
InChI InChI=1S/C39H58O4/c1-8-27(5)42-36(40)31-14-9-10-15-32(31)37(41)43-30-18-21-39(7)29(23-30)16-17-33-34(39)19-20-38(6)24-28(22-35(33)38)26(4)13-11-12-25(2)3/h9-10,14-16,25-28,30,33-35H,8,11-13,17-24H2,1-7H3
InChIKey JCOREUKZNGZVIW-UHFFFAOYSA-N
Mol Weight 590.9 g/mol
Molecular Formula C39H58O4
Exact Mass 590.43351 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2gzPEPLWlMy
Name Poly[1-(cholesteryloxyphthaloyloxy)ethylene]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.433510344 u
Formula C39H58O4
InChI InChI=1S/C39H58O4/c1-8-27(5)42-36(40)31-14-9-10-15-32(31)37(41)43-30-18-21-39(7)29(23-30)16-17-33-34(39)19-20-38(6)24-28(22-35(33)38)26(4)13-11-12-25(2)3/h9-10,14-16,25-28,30,33-35H,8,11-13,17-24H2,1-7H3
InChIKey JCOREUKZNGZVIW-UHFFFAOYSA-N
Molecular Weight 590.889 g/mol
Nominal Mass 590 u
SMILES C(C(C1CC2C(CCC3C2CC=C2C3(CCC(OC(C3=CC=CC=C3C(OC(C)CC)=O)=O)C2)C)(C1)C)C)CCC(C)C
Spectrum/Structure Validation Score (Raman) 0.972881