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Temazepam, heptafluorobutyrate

View entire compound with spectra: 1 NMR

Temazepam, heptafluorobutyrate
SpectraBase Compound ID 4vpEW7boMFG
InChI InChI=1S/C20H12ClF7N2O3/c1-30-13-8-7-11(21)9-12(13)14(10-5-3-2-4-6-10)29-15(16(30)31)33-17(32)18(22,23)19(24,25)20(26,27)28/h2-9,15H,1H3
InChIKey VWHDDUSNRKWKFX-UHFFFAOYSA-N
Mol Weight 496.77 g/mol
Molecular Formula C20H12ClF7N2O3
Exact Mass 496.042467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ApngwvldYUQ
Name Temazepam, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 496.042467092 u
Formula C20H12ClF7N2O3
InChI InChI=1S/C20H12ClF7N2O3/c1-30-13-8-7-11(21)9-12(13)14(10-5-3-2-4-6-10)29-15(16(30)31)33-17(32)18(22,23)19(24,25)20(26,27)28/h2-9,15H,1H3
InChIKey VWHDDUSNRKWKFX-UHFFFAOYSA-N
Molecular Weight 496.769 g/mol
SMILES C1=2C(=NC(C(N(C2C=CC(=C1)Cl)C)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC=CC=C1