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N-[(15S)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methylbenzamide

View entire compound with spectra: 2 NMR

N-[(15S)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methylbenzamide
SpectraBase Compound ID 9LptAAA6CaB
InChI InChI=1S/C26H20N2O3/c1-14-10-12-15(13-11-14)24(29)27-28-25(30)22-20-16-6-2-3-7-17(16)21(23(22)26(28)31)19-9-5-4-8-18(19)20/h2-13,20-23H,1H3,(H,27,29)/t20-,21+,22-,23+
InChIKey JATPWTRYZUCWAS-MESAYYPLSA-N
Mol Weight 408.46 g/mol
Molecular Formula C26H20N2O3
Exact Mass 408.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pDGFsZ8Zq0
Name N-[(15S)-16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methylbenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.147392509 u
Formula C26H20N2O3
InChI InChI=1S/C26H20N2O3/c1-14-10-12-15(13-11-14)24(29)27-28-25(30)22-20-16-6-2-3-7-17(16)21(23(22)26(28)31)19-9-5-4-8-18(19)20/h2-13,20-23H,1H3,(H,27,29)/t20-,21+,22-,23+
InChIKey JATPWTRYZUCWAS-MESAYYPLSA-N
Molecular Weight 408.457 g/mol
SMILES N(N1C([C@]2([C@]3(C4=CC=CC=C4[C@@]([C@]2(C1=O)[H])(C=1C=CC=CC31)[H])[H])[H])=O)C(C=1C=CC(=CC1)C)=O