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benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-2-[[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-2-[[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID Jexr1KC7Kug
InChI InChI=1S/C22H30N4O5S/c1-7-31-21(28)18-15-9-8-14(22(4,5)6)10-16(15)32-20(18)23-17(27)11-25-13(3)19(26(29)30)12(2)24-25/h14H,7-11H2,1-6H3,(H,23,27)
InChIKey DLUMNPNBYPFXRF-UHFFFAOYSA-N
Mol Weight 462.57 g/mol
Molecular Formula C22H30N4O5S
Exact Mass 462.193691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DdgRfWrOl94
Name benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-2-[[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-, ethyl 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 462.193691251 u
Formula C22H30N4O5S
InChI InChI=1S/C22H30N4O5S/c1-7-31-21(28)18-15-9-8-14(22(4,5)6)10-16(15)32-20(18)23-17(27)11-25-13(3)19(26(29)30)12(2)24-25/h14H,7-11H2,1-6H3,(H,23,27)
InChIKey DLUMNPNBYPFXRF-UHFFFAOYSA-N
Molecular Weight 462.565 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5365
Solvent DMSO-d6
Source Vendor ID: NMR/9233426; Lab Info: PNA; Lab Number: PNA-NA00110