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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl]thio]acetyl]amino]-,

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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl]thio]acetyl]amino]-,
SpectraBase Compound ID 1am2dL4zC9S
InChI InChI=1S/C21H24F3N3O3S2/c1-3-30-20(29)18-13-7-5-4-6-8-14(13)32-19(18)27-17(28)11-31-10-16-25-12(2)9-15(26-16)21(22,23)24/h9H,3-8,10-11H2,1-2H3,(H,27,28)
InChIKey ZRYPBDANGDVSIL-UHFFFAOYSA-N
Mol Weight 487.56 g/mol
Molecular Formula C21H24F3N3O3S2
Exact Mass 487.121118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 18I9uSJXT0L
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl]thio]acetyl]amino]-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.121118479 u
Formula C21H24F3N3O3S2
InChI InChI=1S/C21H24F3N3O3S2/c1-3-30-20(29)18-13-7-5-4-6-8-14(13)32-19(18)27-17(28)11-31-10-16-25-12(2)9-15(26-16)21(22,23)24/h9H,3-8,10-11H2,1-2H3,(H,27,28)
InChIKey ZRYPBDANGDVSIL-UHFFFAOYSA-N
Molecular Weight 487.556 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3749
Solvent DMSO-d6
Source Vendor ID: NMR/9245337; Lab Info: PNA; Lab Number: PNA-NA00316
Temperature 29.85 °C