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3-(1H-Imidazol-4-yl)propyl N-Phenylthiocarbamate
SpectraBase Compound ID 8VXvFpmfYzG
InChI InChI=1S/C13H15N3OS/c18-13(16-11-5-2-1-3-6-11)17-8-4-7-12-9-14-10-15-12/h1-3,5-6,9-10H,4,7-8H2,(H,14,15)(H,16,18)
InChIKey UZOOYVANRPDRCA-UHFFFAOYSA-N
Mol Weight 261.34 g/mol
Molecular Formula C13H15N3OS
Exact Mass 261.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2i1vvpMbLs
Name 3-(1H-Imidazol-4-yl)propyl N-Phenylthiocarbamate
Alternate Name(s) N-phenylcarbamothioic acid O-[3-(1H-imidazol-5-yl)propyl]ester N-phenylthiocarbamic acid O-[3-(1H-imidazol-5-yl)propyl]ester O-[3-(1H-imidazol-4-yl)propyl]phenylthiocarbamate O-[3-(1H-imidazol-5-yl)propyl]N-phenylcarbamothioate N-phenylcarbamothioic acid O-[3-(1H-imidazol-5-yl)propyl] ester O-[3-(1H-imidazol-5-yl)propyl] N-phenylcarbamothioate
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Formula C13H15N3OS
InChI InChI=1S/C13H15N3OS/c18-13(16-11-5-2-1-3-6-11)17-8-4-7-12-9-14-10-15-12/h1-3,5-6,9-10H,4,7-8H2,(H,14,15)(H,16,18)
InChIKey UZOOYVANRPDRCA-UHFFFAOYSA-N
Molecular Weight 261.343 g/mol
SMILES [nH]1cc(CCCOC(Nc2ccccc2)=S)nc1
SPLASH splash10-003i-9600000000-d03171ffd3d488de7ab6
Source of Spectrum E1-39-1162-1
Wiley ID 1598738