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2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl-4H-1,2,4-triazol-3-yl]thio}-3'-nitroacetophenone

View entire compound with spectra: 3 NMR, and 1 FTIR

2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl-4H-1,2,4-triazol-3-yl]thio}-3'-nitroacetophenone
SpectraBase Compound ID IRxThb2sJAL
InChI InChI=1S/C18H19N5O4S2/c1-12-19-15(10-28-12)17-20-21-18(22(17)7-4-8-27-2)29-11-16(24)13-5-3-6-14(9-13)23(25)26/h3,5-6,9-10H,4,7-8,11H2,1-2H3
InChIKey ABORMTBKFQHIGP-UHFFFAOYSA-N
Mol Weight 433.5 g/mol
Molecular Formula C18H19N5O4S2
Exact Mass 433.087846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BYYfZbH7iA4
Name 2-{[4-(3-METHOXYPROPYL)-5-(2-METHYL-4-THIAZOLYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}-3'-NITROACETOPHENONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N5O4S2
InChI InChI=1S/C18H19N5O4S2/c1-12-19-15(10-28-12)17-20-21-18(22(17)7-4-8-27-2)29-11-16(24)13-5-3-6-14(9-13)23(25)26/h3,5-6,9-10H,4,7-8,11H2,1-2H3
InChIKey ABORMTBKFQHIGP-UHFFFAOYSA-N
Melting Point 99-101C
Molecular Weight 433.51
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 2-{[4-(3-METHOXYPROPYL)-5-(2-METHYL-4-THIAZOLYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}-3'-NITRO-,