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Thiourea, N-[2-(4-methoxyphenyl)-1,3-dithian-5-yl]-N'-methyl-, cis-
SpectraBase Compound ID FTTXqqAddW6
InChI InChI=1S/C13H18N2OS3/c1-14-13(17)15-10-7-18-12(19-8-10)9-3-5-11(16-2)6-4-9/h3-6,10,12H,7-8H2,1-2H3,(H2,14,15,17)/t10-,12+
InChIKey XDGBCGWRLCMQQN-KLPPZKSPSA-N
Mol Weight 314.48 g/mol
Molecular Formula C13H18N2OS3
Exact Mass 314.058127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EBvuqJlWRw
Name Thiourea, N-[2-(4-methoxyphenyl)-1,3-dithian-5-yl]-N'-methyl-, cis-
Alternate Name(s) 1,3-Dithiane, thiourea deriv. 3-[cis-2-(p-methoxyphenyl)-1,3-dithian-5-yl]-1-methyl-2-thiourea N-[2-(4-methoxyphenyl)-1,3-dithian-5-yl]-N'-methylthiourea
CAS Registry Number 95631-91-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2OS3
InChI InChI=1S/C13H18N2OS3/c1-14-13(17)15-10-7-18-12(19-8-10)9-3-5-11(16-2)6-4-9/h3-6,10,12H,7-8H2,1-2H3,(H2,14,15,17)/t10-,12+
InChIKey XDGBCGWRLCMQQN-KLPPZKSPSA-N
Molecular Weight 314.480 g/mol
SMILES N(C(=S)NC)[C@]1(CS[C@](SC1)(c1ccc(cc1)OC)[H])[H]
SPLASH splash10-084l-6902000000-eecef58f22d920a5a62e
Source of Spectrum H-67-1837-0
Wiley ID 1314677