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{2-[(E)-(1-[2-(1-cyclohexen-1-yl)ethyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID AAKjtfPYNtp
InChI InChI=1S/C21H22N2O6/c24-18(25)13-29-17-9-5-4-8-15(17)12-16-19(26)22-21(28)23(20(16)27)11-10-14-6-2-1-3-7-14/h4-6,8-9,12H,1-3,7,10-11,13H2,(H,24,25)(H,22,26,28)/b16-12+
InChIKey HMAKWALXEGBUMK-FOWTUZBSSA-N
Mol Weight 398.42 g/mol
Molecular Formula C21H22N2O6
Exact Mass 398.147786 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hdmiV4hsOW
Name {2-[(E)-(1-[2-(1-cyclohexen-1-yl)ethyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic 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/C21H22N2O6/c24-18(25)13-29-17-9-5-4-8-15(17)12-16-19(26)22-21(28)23(20(16)27)11-10-14-6-2-1-3-7-14/h4-6,8-9,12H,1-3,7,10-11,13H2,(H,24,25)(H,22,26,28)/b16-12+
InChIKey HMAKWALXEGBUMK-FOWTUZBSSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2914
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: D05855; Labnumber: KKA001-0001460-1; SBI_ID: SBI-002916
Synonyms {2-[(1-[2-(1-cyclohexen-1-yl)ethyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetic acid
Temperature 308 °C