For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-{[(4aS,4bR,7aS,8R)-6-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenyl acetate

View entire compound with spectra: 1 NMR

4-{[(4aS,4bR,7aS,8R)-6-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenyl acetate
SpectraBase Compound ID DNr8f2Jvg9A
InChI InChI=1S/C24H18ClN3O5/c1-13(29)33-17-10-4-14(5-11-17)22(30)21-20-19(18-3-2-12-26-28(18)21)23(31)27(24(20)32)16-8-6-15(25)7-9-16/h2-12,18-21H,1H3
InChIKey GZBMHJWVHBUUCC-UHFFFAOYSA-N
Mol Weight 463.88 g/mol
Molecular Formula C24H18ClN3O5
Exact Mass 463.093498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3NkYLDxLQ6n
Name 4-{[(4aS,4bR,7aS,8R)-6-(4-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenyl acetate
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/C24H18ClN3O5/c1-13(29)33-17-10-4-14(5-11-17)22(30)21-20-19(18-3-2-12-26-28(18)21)23(31)27(24(20)32)16-8-6-15(25)7-9-16/h2-12,18-21H,1H3
InChIKey GZBMHJWVHBUUCC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19400
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: D13451; Labnumber: NNA05-314; SBI_ID: SBI-019403
Temperature 308 °C