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Pipamperone-m (dihydro-H2O)

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Pipamperone-m (dihydro-H2O)
SpectraBase Compound ID 4A13HOn2VLF
InChI InChI=1S/C21H30FN3O/c22-19-9-7-18(8-10-19)6-2-5-13-24-16-11-21(12-17-24,20(23)26)25-14-3-1-4-15-25/h2,6-10H,1,3-5,11-17H2,(H2,23,26)/b6-2+
InChIKey LRNOXUOKJSCDLZ-QHHAFSJGSA-N
Mol Weight 359.49 g/mol
Molecular Formula C21H30FN3O
Exact Mass 359.237291 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7OjkGS5JvVH
Name Pipamperone-m (dihydro-H2O)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.237290760 u
Formula C21H30FN3O
InChI InChI=1S/C21H30FN3O/c22-19-9-7-18(8-10-19)6-2-5-13-24-16-11-21(12-17-24,20(23)26)25-14-3-1-4-15-25/h2,6-10H,1,3-5,11-17H2,(H2,23,26)/b6-2+
InChIKey LRNOXUOKJSCDLZ-QHHAFSJGSA-N
Molecular Weight 359.489 g/mol
SMILES C1(N2CCCCC2)(C(=O)N)CCN(CC1)CC\C=C\C=1C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833415