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Trifluoperazine dihydrochloride

View entire compound with spectra: 1 Raman

Trifluoperazine dihydrochloride
SpectraBase Compound ID 23eosDbXk2s
InChI InChI=1S/C21H24F3N3S.2Cl/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;;
InChIKey SXOPJLRLSHBLJA-UHFFFAOYSA-N
Mol Weight 478.41 g/mol
Molecular Formula C21H24Cl2F3N3S
Exact Mass 477.102009 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1bipnkbjHBn
Name Trifluoperazine dihydrochloride
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 477.102008848 u
Formula C21H24Cl2F3N3S
InChI InChI=1S/C21H24F3N3S.2Cl/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;;
InChIKey SXOPJLRLSHBLJA-UHFFFAOYSA-N
Molecular Weight 478.405 g/mol
SMILES [Cl].C1=2N(C=3C(SC2C=CC(C(F)(F)F)=C1)=CC=CC3)CCCN1CCN(CC1)C.[Cl]
Spectrum/Structure Validation Score (Raman) 0.965645