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17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

View entire compound with spectra: 1 NMR

17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SpectraBase Compound ID K4mwhCV3nol
InChI InChI=1S/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3/t24-,25-,26+,29+/m1/s1
InChIKey SABCYQXMRZXWBL-JMDODURXSA-N
Mol Weight 453.54 g/mol
Molecular Formula C29H27NO4
Exact Mass 453.194008 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8xeuUcuzs9X
Name 17-(4-butoxyphenyl)-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3/t24-,25-,26+,29+/m1/s1
InChIKey SABCYQXMRZXWBL-JMDODURXSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9587
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9053401; UBI_ID: UBI-009590
Temperature 308 °C