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Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-, (octahydro-2H-quinolizin-1-yl)methyl ester
SpectraBase Compound ID F3HfSQRl7ZI
InChI InChI=1S/C25H25F3N4O4/c26-25(27,28)22-11-17(15-6-7-20-21(10-15)36-14-35-20)29-23-12-18(30-32(22)23)24(33)34-13-16-4-3-9-31-8-2-1-5-19(16)31/h6-7,10-12,16,19H,1-5,8-9,13-14H2
InChIKey BHJLXMGVZGASSY-UHFFFAOYSA-N
Mol Weight 502.49 g/mol
Molecular Formula C25H25F3N4O4
Exact Mass 502.18279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQhTkIECxlq
Name Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-, (octahydro-2H-quinolizin-1-yl)methyl ester
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Formula C25H25F3N4O4
InChI InChI=1S/C25H25F3N4O4/c26-25(27,28)22-11-17(15-6-7-20-21(10-15)36-14-35-20)29-23-12-18(30-32(22)23)24(33)34-13-16-4-3-9-31-8-2-1-5-19(16)31/h6-7,10-12,16,19H,1-5,8-9,13-14H2
InChIKey BHJLXMGVZGASSY-UHFFFAOYSA-N
Molecular Weight 502.494 g/mol
SMILES C1CCN2C(C(COC(c3n[n]4C(=CC(=Nc4c3)c3cc4OCOc4cc3)C(F)(F)F)=O)CCC2)C1
SPLASH splash10-0udi-5900000000-af003002e26f1a77344d
Source of Spectrum IY-1-4699-5
Synonyms 5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Wiley ID 1654978