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4'-methoxy-3'-{{[5-(3-methoxypropyl)-1,4,5,6-tetrahydro-s-triazin-2-yl]thio}methyl}acetophenone, monohydrochloride
SpectraBase Compound ID 1hOw4CHzqFS
InChI InChI=1S/C17H25N3O3S.ClH/c1-13(21)14-5-6-16(23-3)15(9-14)10-24-17-18-11-20(12-19-17)7-4-8-22-2;/h5-6,9H,4,7-8,10-12H2,1-3H3,(H,18,19);1H
InChIKey RNLPDLMEBGHTEY-UHFFFAOYSA-N
Mol Weight 387.93 g/mol
Molecular Formula C17H26ClN3O3S
Exact Mass 387.138341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0RYwt1kg6y
Name 4'-METHOXY-3'-{{[5-(3-METHOXYPROPYL)-1,4,5,6-TETRAHYDRO-s-TRIAZIN-2-YL]THIO}METHYL}ACETOPHENONE, MONOHYDROCHLORIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N3O3S HCl
InChI InChI=1S/C17H25N3O3S.ClH/c1-13(21)14-5-6-16(23-3)15(9-14)10-24-17-18-11-20(12-19-17)7-4-8-22-2;/h5-6,9H,4,7-8,10-12H2,1-3H3,(H,18,19);1H
InChIKey RNLPDLMEBGHTEY-UHFFFAOYSA-N
Molecular Weight 387.93
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETOPHENONE, 4'-METHOXY- 3'-///5-/3-METHOXYPROPYL/- 1,4,5,6-TETRAHYDRO-S-TRIAZIN-2-YL/- THIO/METHYL/-, MONOHYDROCHLORIDE