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3-[3-(3-keto-3-methoxy-propyl)-2-thioxo-benzimidazol-1-yl]propionic acid methyl ester
SpectraBase Compound ID 3UJTDoH2S0o
InChI InChI=1S/C15H18N2O4S/c1-20-13(18)7-9-16-11-5-3-4-6-12(11)17(15(16)22)10-8-14(19)21-2/h3-6H,7-10H2,1-2H3
InChIKey UGKNZDCOIFQESP-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C15H18N2O4S
Exact Mass 322.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bVyqSeG5A
Name 3-[3-(3-keto-3-methoxy-propyl)-2-thioxo-benzimidazol-1-yl]propionic acid methyl ester
CAS Registry Number 83451-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O4S
InChI InChI=1S/C15H18N2O4S/c1-20-13(18)7-9-16-11-5-3-4-6-12(11)17(15(16)22)10-8-14(19)21-2/h3-6H,7-10H2,1-2H3
InChIKey UGKNZDCOIFQESP-UHFFFAOYSA-N
Molecular Weight 322.379 g/mol
SMILES C1(N(c2ccccc2N1CCC(=O)OC)CCC(=O)OC)=S
SPLASH splash10-000l-2690000000-57786c033101d8243a9a
Source of Spectrum Y-19-682-0
Synonyms 3-[3-(3-methoxy-3-oxopropyl)-2-sulfanylidene-1-benzimidazolyl]propanoic acid methyl ester Methyl 3-[3-(3-methoxy-3-oxidanylidene-propyl)-2-sulfanylidene-benzimidazol-1-yl]propanoate Methyl 3-[3-(3-methoxy-3-oxo-propyl)-2-thioxo-benzimidazol-1-yl]propanoate Methyl 3-[3-(3-methoxy-3-oxopropyl)-2-sulfanylidenebenzimidazol-1-yl]propanoate
Wiley ID 1321444