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1-(2,3-dihydro-1H-indol-1-yl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butan-1-one
SpectraBase Compound ID EbUhtww7Ko2
InChI InChI=1S/C17H20IN3O/c1-12-17(18)13(2)21(19-12)10-5-8-16(22)20-11-9-14-6-3-4-7-15(14)20/h3-4,6-7H,5,8-11H2,1-2H3
InChIKey YBLGSMPKPYANFS-UHFFFAOYSA-N
Mol Weight 409.27 g/mol
Molecular Formula C17H20IN3O
Exact Mass 409.065107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD1KxfoWN23
Name 1-(2,3-dihydro-1H-indol-1-yl)-4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20IN3O
InChI InChI=1S/C17H20IN3O/c1-12-17(18)13(2)21(19-12)10-5-8-16(22)20-11-9-14-6-3-4-7-15(14)20/h3-4,6-7H,5,8-11H2,1-2H3
InChIKey YBLGSMPKPYANFS-UHFFFAOYSA-N
Molecular Weight 409.271 g/mol
SMILES c12ccccc2CCN1C(=O)CCC[n]1nc(c(c1C)I)C
SPLASH splash10-00kf-9650000000-1326281782a9aa1232a1
Source of Spectrum IY-2-5168-4
Synonyms 1-(2,3-dihydroindol-1-yl)-4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-butanone 1-(2,3-dihydroindol-1-yl)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)butan-1-one 1-(2,3-dihydroindol-1-yl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butan-1-one
Wiley ID 1659667