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2-[(E)-3-(Benzylamino)-3-oxo-1-propenyl]phenyl acetate

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

2-[(E)-3-(Benzylamino)-3-oxo-1-propenyl]phenyl acetate
SpectraBase Compound ID 8hWBQhAJYaz
InChI InChI=1S/C18H17NO3/c1-14(20)22-17-10-6-5-9-16(17)11-12-18(21)19-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,21)/b12-11+
InChIKey LYJRQBSNWYBPBT-VAWYXSNFSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Fkg6JrTGjH
Name 2-[(E)-3-(Benzylamino)-3-oxo-1-propenyl]phenyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-14(20)22-17-10-6-5-9-16(17)11-12-18(21)19-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,21)/b12-11+
InChIKey LYJRQBSNWYBPBT-VAWYXSNFSA-N
SMILES C(\C=C\C=1C(OC(=O)C)=CC=CC1)(NCC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866637