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isopropyl {[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
SpectraBase Compound ID x2LCUZWFqd
InChI InChI=1S/C16H18ClN3O2S/c1-4-9-20-15(12-5-7-13(17)8-6-12)18-19-16(20)23-10-14(21)22-11(2)3/h4-8,11H,1,9-10H2,2-3H3
InChIKey ZGKSLVBAVSCELC-UHFFFAOYSA-N
Mol Weight 351.85 g/mol
Molecular Formula C16H18ClN3O2S
Exact Mass 351.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BYLdk8Kdeo6
Name isopropyl {[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
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/C16H18ClN3O2S/c1-4-9-20-15(12-5-7-13(17)8-6-12)18-19-16(20)23-10-14(21)22-11(2)3/h4-8,11H,1,9-10H2,2-3H3
InChIKey ZGKSLVBAVSCELC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4547
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: D99150; Labnumber: GRES-32267; SBI_ID: SBI-004549
Temperature 315 °C