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(.+/-.)-dropropizine, bis(2-methylpropionate)
SpectraBase Compound ID BsxekOELKYn
InChI InChI=1S/C21H32N2O4/c1-16(2)20(24)26-15-19(27-21(25)17(3)4)14-22-10-12-23(13-11-22)18-8-6-5-7-9-18/h5-9,16-17,19H,10-15H2,1-4H3
InChIKey YNCBFCVIHZNCHZ-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C21H32N2O4
Exact Mass 376.236208 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BiJfkkxGnYu
Name (.+/-.)-dropropizine, bis(2-methylpropionate)
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 376.236207514 u
Formula C21H32N2O4
InChI InChI=1S/C21H32N2O4/c1-16(2)20(24)26-15-19(27-21(25)17(3)4)14-22-10-12-23(13-11-22)18-8-6-5-7-9-18/h5-9,16-17,19H,10-15H2,1-4H3
InChIKey YNCBFCVIHZNCHZ-UHFFFAOYSA-N
Molecular Weight 376.497 g/mol
SMILES C(C(COC(C(C)C)=O)OC(C(C)C)=O)N1CCN(CC1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92683