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Rimonabant tms

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Rimonabant tms
SpectraBase Compound ID 8lPxFHDDcTF
InChI InChI=1S/C25H29Cl3N4OSi/c1-17-23(25(33)32(34(2,3)4)30-14-6-5-7-15-30)29-31(22-13-12-20(27)16-21(22)28)24(17)18-8-10-19(26)11-9-18/h8-13,16H,5-7,14-15H2,1-4H3
InChIKey KLWMBQKWTVFGTC-UHFFFAOYSA-N
Mol Weight 535.98 g/mol
Molecular Formula C25H29Cl3N4OSi
Exact Mass 534.117621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Svyh2h7hNJ
Name Rimonabant tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.117621204 u
Formula C25H29Cl3N4OSi
InChI InChI=1S/C25H29Cl3N4OSi/c1-17-23(25(33)32(34(2,3)4)30-14-6-5-7-15-30)29-31(22-13-12-20(27)16-21(22)28)24(17)18-8-10-19(26)11-9-18/h8-13,16H,5-7,14-15H2,1-4H3
InChIKey KLWMBQKWTVFGTC-UHFFFAOYSA-N
Molecular Weight 535.978 g/mol
SMILES C=1(N(C=2C(=CC(=CC2)Cl)Cl)N=C(C1C)C(N(N1CCCCC1)[Si](C)(C)C)=O)C1=CC=C(C=C1)Cl