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2-(4-bromoanilino)-6-[(1R,2S)-1,2-dibenzoxy-3-hydroxy-propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
SpectraBase Compound ID HlTBRY5CCcS
InChI InChI=1S/C32H31BrN4O5/c1-2-40-32(39)28-30(35-26-15-13-25(33)14-16-26)36-37-18-24(17-34-31(28)37)29(42-21-23-11-7-4-8-12-23)27(19-38)41-20-22-9-5-3-6-10-22/h3-18,27,29,38H,2,19-21H2,1H3,(H,35,36)/t27-,29+/m0/s1
InChIKey DTKMICRLUYLELG-LMSSTIIKSA-N
Mol Weight 631.5 g/mol
Molecular Formula C32H31BrN4O5
Exact Mass 630.147783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmfxSdW19R3
Name 2-(4-bromoanilino)-6-[(1R,2S)-1,2-dibenzoxy-3-hydroxy-propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
Alternate Name(s) 2-(4-bromoanilino)-6-[(1R,2S)-3-hydroxy-1,2-bis(phenylmethoxy)propyl]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester Ethyl 2-(4-bromoanilino)-6-[(1R,2S)-1,2-dibenzyloxy-3-hydroxy-propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate Ethyl 2-(4-bromoanilino)-6-[(1R,2S)-3-hydroxy-1,2-bis(phenylmethoxy)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate Ethyl 2-[(4-bromophenyl)amino]-6-[(1R,2S)-3-oxidanyl-1,2-bis(phenylmethoxy)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
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Formula C32H31BrN4O5
InChI InChI=1S/C32H31BrN4O5/c1-2-40-32(39)28-30(35-26-15-13-25(33)14-16-26)36-37-18-24(17-34-31(28)37)29(42-21-23-11-7-4-8-12-23)27(19-38)41-20-22-9-5-3-6-10-22/h3-18,27,29,38H,2,19-21H2,1H3,(H,35,36)/t27-,29+/m0/s1
InChIKey DTKMICRLUYLELG-LMSSTIIKSA-N
Molecular Weight 631.527 g/mol
SMILES N(c1n[n]2c(N=CC([C@]([C@](CO)(OCc3ccccc3)[H])(OCc3ccccc3)[H])=C2)c1C(=O)OCC)c1ccc(cc1)Br
SPLASH splash10-0006-9000000000-729837bacaae69fcf2a5
Source of Spectrum C5-2004-2867-6
Wiley ID 1617541