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1-Piperazinecarboxaldehyde, 4-(3-chlorobenzoyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

1-Piperazinecarboxaldehyde, 4-(3-chlorobenzoyl)-
SpectraBase Compound ID 4SdQNIvhcmp
InChI InChI=1S/C12H13ClN2O2/c13-11-3-1-2-10(8-11)12(17)15-6-4-14(9-16)5-7-15/h1-3,8-9H,4-7H2
InChIKey DETZHJFCKXBFBO-UHFFFAOYSA-N
Mol Weight 252.7 g/mol
Molecular Formula C12H13ClN2O2
Exact Mass 252.066555 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 87QRBEFf4bD
Name 1-Piperazinecarboxaldehyde, 4-(3-chlorobenzoyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.066555365 u
Formula C12H13ClN2O2
InChI InChI=1S/C12H13ClN2O2/c13-11-3-1-2-10(8-11)12(17)15-6-4-14(9-16)5-7-15/h1-3,8-9H,4-7H2
InChIKey DETZHJFCKXBFBO-UHFFFAOYSA-N
Molecular Weight 252.701 g/mol
SMILES C1(=CC(=CC=C1)Cl)C(=O)N1CCN(CC1)C=O
Spectrum/Structure Validation Score (Raman) 0.942301