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5-[(2,4-dichlorobenzyl)sulfanyl]-3-propyl-1H-1,2,4-triazole
SpectraBase Compound ID 2GXYSsij10w
InChI InChI=1S/C12H13Cl2N3S/c1-2-3-11-15-12(17-16-11)18-7-8-4-5-9(13)6-10(8)14/h4-6H,2-3,7H2,1H3,(H,15,16,17)
InChIKey NODLWPCSGXPZNT-UHFFFAOYSA-N
Mol Weight 302.22 g/mol
Molecular Formula C12H13Cl2N3S
Exact Mass 301.020724 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4fIs4lvwK7U
Name 5-[(2,4-dichlorobenzyl)sulfanyl]-3-propyl-1H-1,2,4-triazole
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/C12H13Cl2N3S/c1-2-3-11-15-12(17-16-11)18-7-8-4-5-9(13)6-10(8)14/h4-6H,2-3,7H2,1H3,(H,15,16,17)
InChIKey NODLWPCSGXPZNT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7358
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: D29132; Labnumber: TOLST-0377; SBI_ID: SBI-007361
Synonyms 2,4-dichlorobenzyl 3-propyl-1H-1,2,4-triazol-5-yl sulfide
Temperature 308 °C