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3-Phenyl-2-pyrroline-1-carboxylic acid methyl ester

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

3-Phenyl-2-pyrroline-1-carboxylic acid methyl ester
SpectraBase Compound ID 7ZXYa4s7sBJ
InChI InChI=1S/C12H13NO2/c1-15-12(14)13-8-7-11(9-13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey NBZAGFVWNJFAJR-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JPxNUN9Fdy9
Name 3-Phenyl-2-pyrroline-1-carboxylic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.094628661 u
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-15-12(14)13-8-7-11(9-13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey NBZAGFVWNJFAJR-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES C=1N(CCC1C1=CC=CC=C1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948091