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2,2-Dimethyl-4-[(benzyloxy)methyl]-1,3-dioxan-5-yl 1H-1-imidazolecarbothioate
SpectraBase Compound ID 7JqA5hTQyeA
InChI InChI=1S/C18H22N2O4S/c1-18(2)22-12-15(23-17(25)20-9-8-19-13-20)16(24-18)11-21-10-14-6-4-3-5-7-14/h3-9,13,15-16H,10-12H2,1-2H3
InChIKey PBSJEBGEUGGOEH-UHFFFAOYSA-N
Mol Weight 362.44 g/mol
Molecular Formula C18H22N2O4S
Exact Mass 362.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67xcFt9sgSv
Name 2,2-Dimethyl-4-[(benzyloxy)methyl]-1,3-dioxan-5-yl 1H-1-imidazolecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O4S
InChI InChI=1S/C18H22N2O4S/c1-18(2)22-12-15(23-17(25)20-9-8-19-13-20)16(24-18)11-21-10-14-6-4-3-5-7-14/h3-9,13,15-16H,10-12H2,1-2H3
InChIKey PBSJEBGEUGGOEH-UHFFFAOYSA-N
Molecular Weight 362.444 g/mol
SMILES C([n]1cncc1)(OC1C(OC(OC1)(C)C)COCc1ccccc1)=S
SPLASH splash10-0006-9100000000-bb3f531350a0f182f82d
Source of Spectrum U1-1998-2845-10
Synonyms O-{4-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan-5-yl} 1H-imidazole-1-carbothioate
Wiley ID 752035