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(3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile

View entire compound with spectra: 1 NMR

(3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
SpectraBase Compound ID 7I9bVAxJHCT
InChI InChI=1S/C24H15BrN4O5/c25-15-4-2-5-16(11-15)28-23(31)19-18-9-13(12-26)7-8-27(18)21(20(19)24(28)32)22(30)14-3-1-6-17(10-14)29(33)34/h1-11,18-21H
InChIKey VOZLIOSVTCAVIP-UHFFFAOYSA-N
Mol Weight 519.31 g/mol
Molecular Formula C24H15BrN4O5
Exact Mass 518.022583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JNNobI0Qfv
Name (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H15BrN4O5/c25-15-4-2-5-16(11-15)28-23(31)19-18-9-13(12-26)7-8-27(18)21(20(19)24(28)32)22(30)14-3-1-6-17(10-14)29(33)34/h1-11,18-21H
InChIKey VOZLIOSVTCAVIP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1912
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: C99423; Labnumber: NNA05-172; SBI_ID: SBI-001914
Temperature 318 °C