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2-({1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

View entire compound with spectra: 2 NMR

2-({1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID J7tkhr4P3xY
InChI InChI=1S/C28H24N2O5/c31-25(10-8-18-7-9-23-24(15-18)35-17-34-23)29-13-11-19(12-14-29)16-30-27(32)21-5-1-3-20-4-2-6-22(26(20)21)28(30)33/h1-10,15,19H,11-14,16-17H2/b10-8+
InChIKey CUQNESUNHADEPP-CSKARUKUSA-N
Mol Weight 468.51 g/mol
Molecular Formula C28H24N2O5
Exact Mass 468.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uWR1pLPmNq
Name 2-({1-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.168521876 u
Formula C28H24N2O5
InChI InChI=1S/C28H24N2O5/c31-25(10-8-18-7-9-23-24(15-18)35-17-34-23)29-13-11-19(12-14-29)16-30-27(32)21-5-1-3-20-4-2-6-22(26(20)21)28(30)33/h1-10,15,19H,11-14,16-17H2/b10-8+
InChIKey CUQNESUNHADEPP-CSKARUKUSA-N
Molecular Weight 468.509 g/mol
SMILES C=1C2=C3C(C(N(C(C3=CC1)=O)CC1CCN(CC1)C(\C=C\C=1C=C3OCOC3=CC1)=O)=O)=CC=C2