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isopropyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CtHOhlhVMJn
InChI InChI=1S/C25H32N6O4S2/c1-15(2)35-24(33)21-17-8-4-5-9-19(17)37-23(21)26-20(32)14-36-25-28-27-22(18-10-11-30(3)29-18)31(25)13-16-7-6-12-34-16/h10-11,15-16H,4-9,12-14H2,1-3H3,(H,26,32)
InChIKey YXCBCOCDGGTVQW-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C25H32N6O4S2
Exact Mass 544.192646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EUN2Tx2NPPU
Name isopropyl 2-[({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H32N6O4S2/c1-15(2)35-24(33)21-17-8-4-5-9-19(17)37-23(21)26-20(32)14-36-25-28-27-22(18-10-11-30(3)29-18)31(25)13-16-7-6-12-34-16/h10-11,15-16H,4-9,12-14H2,1-3H3,(H,26,32)
InChIKey YXCBCOCDGGTVQW-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10601
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1030771; Labnumber: KUZ0451; UZI_ID: UZI-010603
Temperature 308 °C