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2-Ethyl-6-methyl-4-(N'-benzylthioureido)-1,3-dioxane

View entire compound with spectra: 1 MS (GC)

2-Ethyl-6-methyl-4-(N'-benzylthioureido)-1,3-dioxane
SpectraBase Compound ID 3PNdFZUeLt8
InChI InChI=1S/C15H22N2O2S/c1-3-14-18-11(2)9-13(19-14)17-15(20)16-10-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H2,16,17,20)
InChIKey ONAWLEORFXIDRM-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C15H22N2O2S
Exact Mass 294.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPNXG7NRTLG
Name 2-Ethyl-6-methyl-4-(N'-benzylthioureido)-1,3-dioxane
Alternate Name(s) N-benzyl-N'-(2-ethyl-6-methyl-1,3-dioxan-4-yl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22N2O2S
InChI InChI=1S/C15H22N2O2S/c1-3-14-18-11(2)9-13(19-14)17-15(20)16-10-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H2,16,17,20)
InChIKey ONAWLEORFXIDRM-UHFFFAOYSA-N
Molecular Weight 294.413 g/mol
SMILES N(C1OC(CC)OC(C1)C)C(=S)NCc1ccccc1
SPLASH splash10-052f-9210000000-ab1cfe7b0256e635dbdf
Source of Spectrum G-57-1312-0
Wiley ID 813242