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3-(1-Pyrrolidinyl)-cis-, trans-2,10-cyclodecadiene-1,2-dicarboxylic acid, dimethyl ester

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

3-(1-Pyrrolidinyl)-cis-, trans-2,10-cyclodecadiene-1,2-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID DiScGcRmsaW
InChI InChI=1S/C18H27NO4/c1-22-17(20)14-10-6-4-3-5-7-11-15(16(14)18(21)23-2)19-12-8-9-13-19/h10H,3-9,11-13H2,1-2H3/b14-10-,16-15-
InChIKey AIPLPDMCEMMWDW-DFVJNAGBSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6fmPQaah03s
Name 3-(1-Pyrrolidinyl)-cis-, trans-2,10-cyclodecadiene-1,2-dicarboxylic acid, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-22-17(20)14-10-6-4-3-5-7-11-15(16(14)18(21)23-2)19-12-8-9-13-19/h10H,3-9,11-13H2,1-2H3/b14-10-,16-15-
InChIKey AIPLPDMCEMMWDW-DFVJNAGBSA-N
Molecular Weight 321.417 g/mol
SMILES C1CCCCC\C=C\(\C(=C/1N1CCCC1)C(OC)=O)C(OC)=O
Spectrum/Structure Validation Score (Raman) 0.917679