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Albendazole

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, and 3 MS (GC)

Albendazole
SpectraBase Compound ID 3o5QKcFZHf
InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKey HXHWSAZORRCQMX-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C12H15N3O2S
Exact Mass 265.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVXLjQVkaGv
Name Methyl 5-(propylsulfanyl)-1H-benzimidazol-2-ylcarbamate
Alternate Name(s) ((Propylthio)-5 1H-benzimidazolyl-2) carbamate de methyle (5-(Propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester 5-(Propylthio)-2-carbomethoxyaminobenzimidazole Albendazole Carbamic acid, [5-(propylthio)-1H-benzimidazol-2-yl]-, methyl ester Methyl 5-(propylthio)-2-benzimidazolecarbamate Valbazen Zental Methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate SK&F 62979 SKF 62979
CAS Registry Number 54965-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2S
InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKey HXHWSAZORRCQMX-UHFFFAOYSA-N
Molecular Weight 265.331 g/mol
SMILES N(C(OC)=O)c1nc2cc(SCCC)ccc2[nH]1
SPLASH splash10-0006-2930000000-21ee2565722963bd73f1
Source of Spectrum NP-7-9875-0
Wiley ID 1106977