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6-(Dichloromethyl)-5-salicyloyl-1-t-butyl-3-cyano-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID BWVlbkEtPLg
InChI InChI=1S/C20H17Cl2N3O2/c1-20(2,3)25-10-11(9-23)13-8-14(16(18(21)22)24-19(13)25)17(27)12-6-4-5-7-15(12)26/h4-8,10,18,26H,1-3H3
InChIKey ZQUMIQRZPZLWFO-UHFFFAOYSA-N
Mol Weight 402.28 g/mol
Molecular Formula C20H17Cl2N3O2
Exact Mass 401.069782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1G0huHZ7rKw
Name 6-(Dichloromethyl)-5-salicyloyl-1-t-butyl-3-cyano-1H-pyrrolo[2,3-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17Cl2N3O2
InChI InChI=1S/C20H17Cl2N3O2/c1-20(2,3)25-10-11(9-23)13-8-14(16(18(21)22)24-19(13)25)17(27)12-6-4-5-7-15(12)26/h4-8,10,18,26H,1-3H3
InChIKey ZQUMIQRZPZLWFO-UHFFFAOYSA-N
Molecular Weight 402.281 g/mol
SMILES Oc1c(C(c2cc3c(C#N)c[n](c3nc2C(Cl)Cl)C(C)(C)C)=O)cccc1
SPLASH splash10-03xr-0094000000-53c7b6b54e9df4b9a7e8
Source of Spectrum F4-43-475-24f
Wiley ID 1675170