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pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-(2,4-dihydroxyphenyl)octahydro-1-[2-(methylthio)ethyl]-4,6-dioxo-5-(phenylmethyl)-

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pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-(2,4-dihydroxyphenyl)octahydro-1-[2-(methylthio)ethyl]-4,6-dioxo-5-(phenylmethyl)-
SpectraBase Compound ID 91B57qtLbzg
InChI InChI=1S/C23H24N2O6S/c1-32-10-9-23(22(30)31)18-17(19(24-23)15-8-7-14(26)11-16(15)27)20(28)25(21(18)29)12-13-5-3-2-4-6-13/h2-8,11,17-19,24,26-27H,9-10,12H2,1H3,(H,30,31)
InChIKey KKHQMUOUNGXXQT-UHFFFAOYSA-N
Mol Weight 456.51 g/mol
Molecular Formula C23H24N2O6S
Exact Mass 456.135508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K8p171LLvCn
Name pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-(2,4-dihydroxyphenyl)octahydro-1-[2-(methylthio)ethyl]-4,6-dioxo-5-(phenylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.135507669 u
Formula C23H24N2O6S
InChI InChI=1S/C23H24N2O6S/c1-32-10-9-23(22(30)31)18-17(19(24-23)15-8-7-14(26)11-16(15)27)20(28)25(21(18)29)12-13-5-3-2-4-6-13/h2-8,11,17-19,24,26-27H,9-10,12H2,1H3,(H,30,31)
InChIKey KKHQMUOUNGXXQT-UHFFFAOYSA-N
Molecular Weight 456.513 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4203
Solvent DMSO-d6
Source Vendor ID: NMR/9233110; Lab Info: LP; Lab Number: LP-0292019
Temperature 29.85 °C