Debug Info

object
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_id
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E3E9POFW1ON
spectrumID
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E3E9POFW1ON
cost
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specType
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262144
xnmrNucleus
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CNHS2X:48055:1
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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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N-4-Methylphenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]-furan-2-carboxamide
SpectraBase Compound ID CrlYqoohZwK
InChI InChI=1S/C26H30N2O2/c1-20-10-12-23(13-11-20)28(26(29)25-9-6-18-30-25)24-14-16-27(17-15-24)21(2)19-22-7-4-3-5-8-22/h3-13,18,21,24H,14-17,19H2,1-2H3
InChIKey NSOATXADGCFKDF-UHFFFAOYSA-N
Mol Weight 402.54 g/mol
Molecular Formula C26H30N2O2
Exact Mass 402.230728 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 E3E9POFW1ON
Name N-4-Methylphenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]-furan-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.230728212 u
Formula C26H30N2O2
InChI InChI=1S/C26H30N2O2/c1-20-10-12-23(13-11-20)28(26(29)25-9-6-18-30-25)24-14-16-27(17-15-24)21(2)19-22-7-4-3-5-8-22/h3-13,18,21,24H,14-17,19H2,1-2H3
InChIKey NSOATXADGCFKDF-UHFFFAOYSA-N
Molecular Weight 402.538 g/mol
SMILES C1(N(C(C=2OC=CC2)=O)C=2C=CC(=CC2)C)CCN(C(CC2=CC=CC=C2)C)CC1
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