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1H-2-benzopyran-1-one, 3-[(hexahydro-1H-azepin-1-yl)carbonyl]-4-(4-methylphenyl)-
SpectraBase Compound ID H8gTMdQF4nY
InChI InChI=1S/C23H23NO3/c1-16-10-12-17(13-11-16)20-18-8-4-5-9-19(18)23(26)27-21(20)22(25)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-15H2,1H3
InChIKey QAJAKBLGEQSQGC-UHFFFAOYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C23H23NO3
Exact Mass 361.167794 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID od3kRQv5f0
Name 1H-2-benzopyran-1-one, 3-[(hexahydro-1H-azepin-1-yl)carbonyl]-4-(4-methylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.167793602 u
Formula C23H23NO3
InChI InChI=1S/C23H23NO3/c1-16-10-12-17(13-11-16)20-18-8-4-5-9-19(18)23(26)27-21(20)22(25)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-15H2,1H3
InChIKey QAJAKBLGEQSQGC-UHFFFAOYSA-N
Molecular Weight 361.441 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_376
Solvent DMSO-d6
Source Vendor ID: NMR/13238736