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Trimeprazine tartrate in kbr

View entire compound with spectra: 1 NMR, and 1 Raman

Trimeprazine tartrate in kbr
SpectraBase Compound ID DPvmmjKJ3Ys
InChI InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKey AJZJIYUOOJLBAU-UHFFFAOYSA-N
Mol Weight 746.98 g/mol
Molecular Formula C40H50N4O6S2
Exact Mass 746.317178 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8Kv7vlH8Dv3
Name Trimeprazine tartrate in kbr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 746.317177688 u
Formula C40H50N4O6S2
InChI InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKey AJZJIYUOOJLBAU-UHFFFAOYSA-N
Molecular Weight 746.982 g/mol
SMILES C(C(CN1C2=C(SC3=C1C=CC=C3)C=CC=C2)C)N(C)C.C(C(CN1C2=C(SC3=C1C=CC=C3)C=CC=C2)C)N(C)C.OC(C(C(C(=O)O)O)O)=O
Spectrum/Structure Validation Score (Raman) 0.920781