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2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
SpectraBase Compound ID 7RFuhdhEODT
InChI InChI=1S/C19H15Cl2FN4OS/c1-2-8-26-18(12-4-3-5-13(20)9-12)24-25-19(26)28-11-17(27)23-14-6-7-16(22)15(21)10-14/h2-7,9-10H,1,8,11H2,(H,23,27)
InChIKey CHIBDJPKIKYGPM-UHFFFAOYSA-N
Mol Weight 437.32 g/mol
Molecular Formula C19H15Cl2FN4OS
Exact Mass 436.032766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3nGLB2n5AZg
Name 2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
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/C19H15Cl2FN4OS/c1-2-8-26-18(12-4-3-5-13(20)9-12)24-25-19(26)28-11-17(27)23-14-6-7-16(22)15(21)10-14/h2-7,9-10H,1,8,11H2,(H,23,27)
InChIKey CHIBDJPKIKYGPM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11528
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: E06456; Labnumber: GRES-22883; SBI_ID: SBI-011531
Temperature 318 °C