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1H-isoindole-2-butanoic acid, 2,3-dihydro-1,3-dioxo-, tetrahydro-4-[(methoxycarbonyl)amino]-3-thienyl ester
SpectraBase Compound ID Es6c5VDkHco
InChI InChI=1S/C18H20N2O6S/c1-25-18(24)19-13-9-27-10-14(13)26-15(21)7-4-8-20-16(22)11-5-2-3-6-12(11)17(20)23/h2-3,5-6,13-14H,4,7-10H2,1H3,(H,19,24)
InChIKey OKODJPFVRVYCFG-UHFFFAOYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C18H20N2O6S
Exact Mass 392.104208 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 81xUqXihqy4
Name 1H-isoindole-2-butanoic acid, 2,3-dihydro-1,3-dioxo-, tetrahydro-4-[(methoxycarbonyl)amino]-3-thienyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.104207540 u
Formula C18H20N2O6S
InChI InChI=1S/C18H20N2O6S/c1-25-18(24)19-13-9-27-10-14(13)26-15(21)7-4-8-20-16(22)11-5-2-3-6-12(11)17(20)23/h2-3,5-6,13-14H,4,7-10H2,1H3,(H,19,24)
InChIKey OKODJPFVRVYCFG-UHFFFAOYSA-N
Molecular Weight 392.426 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17563
Solvent DMSO-d6
Source Vendor ID: NMR/11210280; Lab Info: RV; Lab Number: RV-0000002