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2-Phenoxypropionic acid, (octahydroquinolizin-1-yl)methyl ester

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

2-Phenoxypropionic acid, (octahydroquinolizin-1-yl)methyl ester
SpectraBase Compound ID DVPxganYxwy
InChI InChI=1S/C19H27NO3/c1-15(23-17-9-3-2-4-10-17)19(21)22-14-16-8-7-13-20-12-6-5-11-18(16)20/h2-4,9-10,15-16,18H,5-8,11-14H2,1H3
InChIKey COVCNGRWIKQEQM-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3DXIX5w2Vgl
Name 2-Phenoxypropionic acid, (octahydroquinolizin-1-yl)methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.199093730 u
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-15(23-17-9-3-2-4-10-17)19(21)22-14-16-8-7-13-20-12-6-5-11-18(16)20/h2-4,9-10,15-16,18H,5-8,11-14H2,1H3
InChIKey COVCNGRWIKQEQM-UHFFFAOYSA-N
Molecular Weight 317.429 g/mol
SMILES C1=CC=C(C=C1)OC(C(OCC1C2N(CCC1)CCCC2)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848627