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N-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 72ioeBomhsg
InChI InChI=1S/C23H21N3O5/c27-20-17-3-1-2-15-7-16(26(30)31)8-18(19(15)17)21(28)25(20)24-22(29)23-9-12-4-13(10-23)6-14(5-12)11-23/h1-3,7-8,12-14H,4-6,9-11H2,(H,24,29)/t12-,13+,14-,23-
InChIKey WKUYXAIDVXYIFI-CAUGRDAOSA-N
Mol Weight 419.44 g/mol
Molecular Formula C23H21N3O5
Exact Mass 419.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ccjAYgZOZW
Name N-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-1-adamantanecarboxamide
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/C23H21N3O5/c27-20-17-3-1-2-15-7-16(26(30)31)8-18(19(15)17)21(28)25(20)24-22(29)23-9-12-4-13(10-23)6-14(5-12)11-23/h1-3,7-8,12-14H,4-6,9-11H2,(H,24,29)/t12-,13+,14-,23-
InChIKey WKUYXAIDVXYIFI-CAUGRDAOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2952
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/8074445; UBI_ID: UBI-002953
Temperature 318 °C