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1,5-Cyclooctanedicarboxylic acid, dimethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,5-Cyclooctanedicarboxylic acid, dimethyl ester
SpectraBase Compound ID Aronis4pp5Q
InChI InChI=1S/C12H20O4/c1-15-11(13)9-5-3-7-10(8-4-6-9)12(14)16-2/h9-10H,3-8H2,1-2H3
InChIKey SXECLMTWIVGZPZ-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4XXndDCcXJE
Name 1,5-Cyclooctanedicarboxylic acid, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.136159120 u
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-15-11(13)9-5-3-7-10(8-4-6-9)12(14)16-2/h9-10H,3-8H2,1-2H3
InChIKey SXECLMTWIVGZPZ-UHFFFAOYSA-N
Molecular Weight 228.288 g/mol
SMILES C(=O)(C1CCCC(C(=O)OC)CCC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93636