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N-Carbomethoxy-2-phenacylthio-imidazoline

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N-Carbomethoxy-2-phenacylthio-imidazoline
SpectraBase Compound ID Fbpb8UsQeX8
InChI InChI=1S/C13H14N2O3S/c1-18-13(17)15-8-7-14-12(15)19-9-11(16)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey MQYWNRYTKSTYMJ-UHFFFAOYSA-N
Mol Weight 278.33 g/mol
Molecular Formula C13H14N2O3S
Exact Mass 278.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EJKFyOG2Ie
Name 2-(Phenacylthio)-2-imidazoline-1-carboxylic acid methyl ester
Alternate Name(s) 2-(Phenacylthio)-4,5-dihydroimidazole-1-carboxylic acid methyl ester Methyl 2-phenacylsulfanyl-4,5-dihydroimidazole-1-carboxylate
CAS Registry Number 59863-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3S
InChI InChI=1S/C13H14N2O3S/c1-18-13(17)15-8-7-14-12(15)19-9-11(16)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey MQYWNRYTKSTYMJ-UHFFFAOYSA-N
Molecular Weight 278.326 g/mol
SMILES C=1(N(CCN1)C(=O)OC)SCC(=O)c1ccccc1
SPLASH splash10-0a6r-4910000000-6ed919beb0fffcf4de1a
Source of Spectrum C-98-3693-0
Wiley ID 1281643