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1H-Pyrazole-1-butanamide, N-(1,3-benzothiazol-2-yl)-4-iodo-3,5-dimethyl-
SpectraBase Compound ID LKbH3BgLeHQ
InChI InChI=1S/C16H17IN4OS/c1-10-15(17)11(2)21(20-10)9-5-8-14(22)19-16-18-12-6-3-4-7-13(12)23-16/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19,22)
InChIKey XZEYIYNLRBOPJR-UHFFFAOYSA-N
Mol Weight 440.3 g/mol
Molecular Formula C16H17IN4OS
Exact Mass 440.016777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XaLx6HfAnl
Name 1H-Pyrazole-1-butanamide, N-(1,3-benzothiazol-2-yl)-4-iodo-3,5-dimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17IN4OS
InChI InChI=1S/C16H17IN4OS/c1-10-15(17)11(2)21(20-10)9-5-8-14(22)19-16-18-12-6-3-4-7-13(12)23-16/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19,22)
InChIKey XZEYIYNLRBOPJR-UHFFFAOYSA-N
Molecular Weight 440.303 g/mol
SMILES N(c1sc2ccccc2n1)C(=O)CCC[n]1nc(c(c1C)I)C
SPLASH splash10-0006-5890000000-252d4e0e8748d1b6656a
Source of Spectrum IY-1-4644-7
Synonyms N-(1,3-benzothiazol-2-yl)-4-(4-iodo-3,5-dimethyl-1-pyrazolyl)butanamide N-(1,3-benzothiazol-2-yl)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)butanamide N-(1,3-benzothiazol-2-yl)-4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butanamide N-(1,3-benzothiazol-2-yl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butanamide
Wiley ID 1654430