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isopropyl 2-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID KqK7SGcySDF
InChI InChI=1S/C26H30N6O4S2/c1-15(2)36-25(34)22-18-9-5-6-10-20(18)38-24(22)27-21(33)14-37-26-29-28-23(19-12-16(3)31(4)30-19)32(26)13-17-8-7-11-35-17/h7-8,11-12,15H,5-6,9-10,13-14H2,1-4H3,(H,27,33)
InChIKey OWWULBGOWVJERD-UHFFFAOYSA-N
Mol Weight 554.68 g/mol
Molecular Formula C26H30N6O4S2
Exact Mass 554.176996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5MkRK8Mv59U
Name isopropyl 2-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-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/C26H30N6O4S2/c1-15(2)36-25(34)22-18-9-5-6-10-20(18)38-24(22)27-21(33)14-37-26-29-28-23(19-12-16(3)31(4)30-19)32(26)13-17-8-7-11-35-17/h7-8,11-12,15H,5-6,9-10,13-14H2,1-4H3,(H,27,33)
InChIKey OWWULBGOWVJERD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11437
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/1031275; Labnumber: NIV1263; UZI_ID: UZI-011439
Temperature 308 °C