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Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-, phenylmethyl ester
SpectraBase Compound ID E2N9RQMAfjN
InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-7-4-8-13(9-12)26-17(27)14-15(18(26)28)24-25-16(14)19(29)30-10-11-5-2-1-3-6-11/h1-9,14-15,24H,10H2
InChIKey IBCWCPCOCVOGKE-UHFFFAOYSA-N
Mol Weight 417.34 g/mol
Molecular Formula C20H14F3N3O4
Exact Mass 417.09364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sxUxjnPfwX
Name Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-, phenylmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14F3N3O4
InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-7-4-8-13(9-12)26-17(27)14-15(18(26)28)24-25-16(14)19(29)30-10-11-5-2-1-3-6-11/h1-9,14-15,24H,10H2
InChIKey IBCWCPCOCVOGKE-UHFFFAOYSA-N
Molecular Weight 417.344 g/mol
SMILES N1C2C(N(C(C2C(=N1)C(OCc1ccccc1)=O)=O)c1cc(C(F)(F)F)ccc1)=O
SPLASH splash10-0006-9210000000-436f72fc20f5749331e7
Source of Spectrum IY-1-4697-2
Synonyms 4,6-Dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid (phenylmethyl) ester benzyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate (phenylmethyl) 4,6-bis(oxidanylidene)-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Wiley ID 1654955