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1H-isoindole-2-hexanoic acid, 2,3-dihydro-1,3-dioxo-, tetrahydro-4-[(methoxycarbonyl)amino]-3-thienyl ester
SpectraBase Compound ID EXrsTP85pJf
InChI InChI=1S/C20H24N2O6S/c1-27-20(26)21-15-11-29-12-16(15)28-17(23)9-3-2-6-10-22-18(24)13-7-4-5-8-14(13)19(22)25/h4-5,7-8,15-16H,2-3,6,9-12H2,1H3,(H,21,26)
InChIKey GBRNLKNGGALXHA-UHFFFAOYSA-N
Mol Weight 420.48 g/mol
Molecular Formula C20H24N2O6S
Exact Mass 420.135508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FiJwzpz7vm4
Name 1H-isoindole-2-hexanoic 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 420.135507669 u
Formula C20H24N2O6S
InChI InChI=1S/C20H24N2O6S/c1-27-20(26)21-15-11-29-12-16(15)28-17(23)9-3-2-6-10-22-18(24)13-7-4-5-8-14(13)19(22)25/h4-5,7-8,15-16H,2-3,6,9-12H2,1H3,(H,21,26)
InChIKey GBRNLKNGGALXHA-UHFFFAOYSA-N
Molecular Weight 420.480 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16841
Solvent DMSO-d6
Source Vendor ID: NMR/11210282; Lab Info: RV; Lab Number: RV-0000004