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4-{(Z)-[1-(2-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
SpectraBase Compound ID CCEqj5oD0zg
InChI InChI=1S/C21H16FNO5/c1-12-18(21(27)28-2)15(11-13-7-9-14(10-8-13)20(25)26)19(24)23(12)17-6-4-3-5-16(17)22/h3-11H,1-2H3,(H,25,26)/b15-11-
InChIKey WXAWKEYJOVYWIO-PTNGSMBKSA-N
Mol Weight 381.36 g/mol
Molecular Formula C21H16FNO5
Exact Mass 381.101251 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FruaOLghKbf
Name 4-{(Z)-[1-(2-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
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/C21H16FNO5/c1-12-18(21(27)28-2)15(11-13-7-9-14(10-8-13)20(25)26)19(24)23(12)17-6-4-3-5-16(17)22/h3-11H,1-2H3,(H,25,26)/b15-11-
InChIKey WXAWKEYJOVYWIO-PTNGSMBKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5499
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: D26012; Labnumber: SPDEM-3963; SBI_ID: SBI-005501
Synonyms 4-{[1-(2-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Temperature 318 °C