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

*Links on SpectraBase are not permalinks.
Benzoic acid, 4-[4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4,6-dihydro-6-oxopyrrolo[3,4-c]pyrazol-5(1H)-yl]-, ethyl ester
SpectraBase Compound ID JjvOz3mh2Ar
InChI InChI=1S/C28H24ClN3O4/c1-3-35-20-15-11-17(12-16-20)24-23-25(31-30-24)27(33)32(26(23)21-7-5-6-8-22(21)29)19-13-9-18(10-14-19)28(34)36-4-2/h5-16,26H,3-4H2,1-2H3,(H,30,31)
InChIKey QYNVEBKWLXRNIM-UHFFFAOYSA-N
Mol Weight 501.97 g/mol
Molecular Formula C28H24ClN3O4
Exact Mass 501.145534 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 2rq4JfyyT9M
Name Benzoic acid, 4-[4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4,6-dihydro-6-oxopyrrolo[3,4-c]pyrazol-5(1H)-yl]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24ClN3O4
InChI InChI=1S/C28H24ClN3O4/c1-3-35-20-15-11-17(12-16-20)24-23-25(31-30-24)27(33)32(26(23)21-7-5-6-8-22(21)29)19-13-9-18(10-14-19)28(34)36-4-2/h5-16,26H,3-4H2,1-2H3,(H,30,31)
InChIKey QYNVEBKWLXRNIM-UHFFFAOYSA-N
Molecular Weight 501.970 g/mol
SMILES [nH]1nc(c2c1C(N(C2c1c(Cl)cccc1)c1ccc(C(=O)OCC)cc1)=O)-c1ccc(cc1)OCC
SPLASH splash10-0006-9610010000-a650025860502488e6f1
Source of Spectrum IY-1-4576-2
Synonyms 4-[4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester Ethyl 4-[4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate Ethyl 4-[4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxidanylidene-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
Wiley ID 1653745