Debug Info

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_id
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654EtpiNo8k
spectrumID
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654EtpiNo8k
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CNHS5X:9722:1
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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2-propen-1-one, 3-[(2-ethoxyphenyl)amino]-1-(4-methoxyphenyl)-, (2Z)-
SpectraBase Compound ID HKJhJK27waX
InChI InChI=1S/C18H19NO3/c1-3-22-18-7-5-4-6-16(18)19-13-12-17(20)14-8-10-15(21-2)11-9-14/h4-13,19H,3H2,1-2H3/b13-12-
InChIKey OAEOQHSVNBHTQH-SEYXRHQNSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 654EtpiNo8k
Name 2-Propen-1-one, 3-[(2-ethoxyphenyl)amino]-1-(4-methoxyphenyl)-, (2Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-3-22-18-7-5-4-6-16(18)19-13-12-17(20)14-8-10-15(21-2)11-9-14/h4-13,19H,3H2,1-2H3/b13-12-
InChIKey OAEOQHSVNBHTQH-SEYXRHQNSA-N
SMILES N(\C=C/C(C1=CC=C(C=C1)OC)=O)C1=C(OCC)C=CC=C1
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