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

*Links on SpectraBase are not permalinks.
3,4-Dichloro-benzoic acid 4-(6-amino-5-cyano-3-methyl-1,4-dihydro-pyrano[2,3-c]pyrazol-4-yl)-phenyl ester
SpectraBase Compound ID AwnQ6hVk8Je
InChI InChI=1S/C21H14Cl2N4O3/c1-10-17-18(14(9-24)19(25)30-20(17)27-26-10)11-2-5-13(6-3-11)29-21(28)12-4-7-15(22)16(23)8-12/h2-8,18H,25H2,1H3,(H,26,27)
InChIKey IUCGHGGDIGZZRX-UHFFFAOYSA-N
Mol Weight 441.27 g/mol
Molecular Formula C21H14Cl2N4O3
Exact Mass 440.044296 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 4xf8k8ajrOi
Name 3,4-Dichloro-benzoic acid 4-(6-amino-5-cyano-3-methyl-1,4-dihydro-pyrano[2,3-c]pyrazol-4-yl)-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14Cl2N4O3
InChI InChI=1S/C21H14Cl2N4O3/c1-10-17-18(14(9-24)19(25)30-20(17)27-26-10)11-2-5-13(6-3-11)29-21(28)12-4-7-15(22)16(23)8-12/h2-8,18H,25H2,1H3,(H,26,27)
InChIKey IUCGHGGDIGZZRX-UHFFFAOYSA-N
Molecular Weight 441.274 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2C)c1ccc(OC(c2cc(Cl)c(cc2)Cl)=O)cc1)C#N
SPLASH splash10-00b9-2900000000-184ec3c518df6728182c
Synonyms 3,4-Dichlorobenzoic acid[4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl]ester 4-(6-Amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 3,4-dichlorobenzoate [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl]3,4-dichlorobenzoate [4-(6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl]3,4-bis(chloranyl)benzoate [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 3,4-dichlorobenzoate [4-(6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 3,4-bis(chloranyl)benzoate
Wiley ID 1436827