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trans-[2-(2,4-DICHLOROPHENYL)-2-[3-[1-METHYL-5-(1,2,4-TRIAZOLYL)]-PROPYL]-5-(HYDROXYMETHYL)]-1,3-OXATHIOLANE

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trans-[2-(2,4-DICHLOROPHENYL)-2-[3-[1-METHYL-5-(1,2,4-TRIAZOLYL)]-PROPYL]-5-(HYDROXYMETHYL)]-1,3-OXATHIOLANE
SpectraBase Compound ID DHE2ImBLAt5
InChI InChI=1S/C16H19Cl2N3O2S/c1-21-15(19-10-20-21)3-2-6-16(23-12(8-22)9-24-16)13-5-4-11(17)7-14(13)18/h4-5,7,10,12,22H,2-3,6,8-9H2,1H3/t12-,16-/m0/s1
InChIKey YNBCIPRUNWQGMS-LRDDRELGSA-N
Mol Weight 388.31 g/mol
Molecular Formula C16H19Cl2N3O2S
Exact Mass 387.057503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RB1u840SXA
Name trans-[2-(2,4-DICHLOROPHENYL)-2-[3-[1-METHYL-5-(1,2,4-TRIAZOLYL)]-PROPYL]-5-(HYDROXYMETHYL)]-1,3-OXATHIOLANE
Compound Number 9B
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H19Cl2N3O2S/c1-21-15(19-10-20-21)3-2-6-16(23-12(8-22)9-24-16)13-5-4-11(17)7-14(13)18/h4-5,7,10,12,22H,2-3,6,8-9H2,1H3/t12-,16-/m0/s1
InChIKey YNBCIPRUNWQGMS-LRDDRELGSA-N
Literature Reference L.F.HUANG,J.W.KIM,L.BAUER J.HETCYCL.CHEM.,34,469(1997)
Solvent Chloroform-d