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6-carbethoxy-1-(5-oxo-3,4-dihydro-2H-pyrrolyl)-2-cyclohexene

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

6-carbethoxy-1-(5-oxo-3,4-dihydro-2H-pyrrolyl)-2-cyclohexene
SpectraBase Compound ID IwKl0rrzh9m
InChI InChI=1S/C13H19NO3/c1-2-17-13(16)10-6-3-4-7-11(10)14-9-5-8-12(14)15/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKey XDZZMDSDXSZXDD-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KJ1naVzK0ew
Name 6-Carbethoxy-1-(5-oxo-3,4-dihydro-2H-pyrrolyl)-2-cyclohexene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.136493473 u
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-2-17-13(16)10-6-3-4-7-11(10)14-9-5-8-12(14)15/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKey XDZZMDSDXSZXDD-UHFFFAOYSA-N
Molecular Weight 237.299 g/mol
SMILES C1(N2C(=O)CCC2)C(C(=O)OCC)CCC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924848