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Trihexyphenidyl-m (ho-) P1014

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

Trihexyphenidyl-m (ho-) P1014
SpectraBase Compound ID KarfRNNd5a7
InChI InChI=1S/C20H31NO2/c22-19-11-9-18(10-12-19)20(23,17-7-3-1-4-8-17)13-16-21-14-5-2-6-15-21/h1,3-4,7-8,18-19,22-23H,2,5-6,9-16H2
InChIKey IZHVXQHDIKFPNU-UHFFFAOYSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5pRJhWETKig
Name Trihexyphenidyl-m (ho-) P1014
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.235479240 u
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c22-19-11-9-18(10-12-19)20(23,17-7-3-1-4-8-17)13-16-21-14-5-2-6-15-21/h1,3-4,7-8,18-19,22-23H,2,5-6,9-16H2
InChIKey IZHVXQHDIKFPNU-UHFFFAOYSA-N
Molecular Weight 317.473 g/mol
SMILES C1=CC=CC=C1C(C1CCC(CC1)O)(CCN1CCCCC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895379