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Isobutyl 2-([2-(dimethylamino)-2-oxoethyl]sulfanyl)-1H-benzimidazole-1-carboxylate
SpectraBase Compound ID C4AliLZjTkr
InChI InChI=1S/C16H21N3O3S/c1-11(2)9-22-16(21)19-13-8-6-5-7-12(13)17-15(19)23-10-14(20)18(3)4/h5-8,11H,9-10H2,1-4H3
InChIKey LJBSTVLTPUILCP-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C16H21N3O3S
Exact Mass 335.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9wfakyVRU8
Name Isobutyl 2-([2-(dimethylamino)-2-oxoethyl]sulfanyl)-1H-benzimidazole-1-carboxylate
CAS Registry Number 313548-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O3S
InChI InChI=1S/C16H21N3O3S/c1-11(2)9-22-16(21)19-13-8-6-5-7-12(13)17-15(19)23-10-14(20)18(3)4/h5-8,11H,9-10H2,1-4H3
InChIKey LJBSTVLTPUILCP-UHFFFAOYSA-N
Molecular Weight 335.422 g/mol
SMILES c1ccc2[n](c(nc2c1)SCC(N(C)C)=O)C(OCC(C)C)=O
SPLASH splash10-0kfx-9400000000-563ceebb342b2f0b9507
Source of Spectrum AD-0-2532-0
Synonyms 2-Methylpropyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzimidazole-1-carboxylate 2-Methylpropyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzimidazole-1-carboxylic acid isobutyl ester 2-[[2-(dimethylamino)-2-oxoethyl]thio]-1-benzimidazolecarboxylic acid 2-methylpropyl ester Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester isobutyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzimidazole-1-carboxylate
Wiley ID 1420273