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Ethyl 2-(phenylcarbamoyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

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

Ethyl 2-(phenylcarbamoyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
SpectraBase Compound ID 9xNfuToAq72
InChI InChI=1S/C16H18N2O3/c1-2-21-15(19)14-11-8-9-13(10-11)18(14)16(20)17-12-6-4-3-5-7-12/h3-9,11,13-14H,2,10H2,1H3,(H,17,20)
InChIKey XGQWMNBZJKDMSR-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C16H18N2O3
Exact Mass 286.131742 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3pllmUFDtv4
Name Ethyl 2-(phenylcarbamoyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.131742445 u
Formula C16H18N2O3
InChI InChI=1S/C16H18N2O3/c1-2-21-15(19)14-11-8-9-13(10-11)18(14)16(20)17-12-6-4-3-5-7-12/h3-9,11,13-14H,2,10H2,1H3,(H,17,20)
InChIKey XGQWMNBZJKDMSR-UHFFFAOYSA-N
SMILES C(N1C2C=CC(C1C(=O)OCC)C2)(NC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897846