For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-Pyrazole-1-butanamide, 4-iodo-3,5-dimethyl-N-[3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-
SpectraBase Compound ID Kc4DkUcSUhT
InChI InChI=1S/C21H26IN5O/c1-14-7-5-8-18(11-14)13-27-19(12-15(2)24-27)23-20(28)9-6-10-26-17(4)21(22)16(3)25-26/h5,7-8,11-12H,6,9-10,13H2,1-4H3,(H,23,28)
InChIKey KSDZLFPDZRPSFD-UHFFFAOYSA-N
Mol Weight 491.38 g/mol
Molecular Formula C21H26IN5O
Exact Mass 491.118205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7tlniZR2xLC
Name 1H-Pyrazole-1-butanamide, 4-iodo-3,5-dimethyl-N-[3-methyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26IN5O
InChI InChI=1S/C21H26IN5O/c1-14-7-5-8-18(11-14)13-27-19(12-15(2)24-27)23-20(28)9-6-10-26-17(4)21(22)16(3)25-26/h5,7-8,11-12H,6,9-10,13H2,1-4H3,(H,23,28)
InChIKey KSDZLFPDZRPSFD-UHFFFAOYSA-N
Molecular Weight 491.377 g/mol
SMILES N(c1[n](nc(c1)C)Cc1cc(ccc1)C)C(=O)CCC[n]1nc(c(c1C)I)C
SPLASH splash10-052f-3590000000-a2085f77fcd68da200af
Source of Spectrum IY-1-4680-1
Synonyms 4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-N-[5-methyl-2-[(3-methylphenyl)methyl]-3-pyrazolyl]butanamide 4-(4-iodo-3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-N-[5-methyl-2-(m-tolylmethyl)pyrazol-3-yl]butanamide 4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)-N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide
Wiley ID 1654784