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Poly(trimethylene terephthalate)

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

Poly(trimethylene terephthalate)
SpectraBase Compound ID BSBRbhae3Js
InChI InChI=1S/C13H16O4/c1-10(14)11-4-6-12(7-5-11)13(15)17-9-3-8-16-2/h4-7H,3,8-9H2,1-2H3
InChIKey OFIPSZQGMVRNLO-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KglJqQg00AA
Name Poly(trimethylene terephthalate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-10(14)11-4-6-12(7-5-11)13(15)17-9-3-8-16-2/h4-7H,3,8-9H2,1-2H3
InChIKey OFIPSZQGMVRNLO-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
Nominal Mass 236 u
SMILES C(CCOC)OC(C=1C=CC(=CC1)C(=O)C)=O
Spectrum/Structure Validation Score (Raman) 0.987883