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Aripiprazole
SpectraBase Compound ID AqkwHfUqrvT
InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
InChIKey CEUORZQYGODEFX-UHFFFAOYSA-N
Mol Weight 448.39 g/mol
Molecular Formula C23H27Cl2N3O2
Exact Mass 447.148033 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID F1vSR3lEAxV
Name Aripiprazole
Source of Sample Cayman Chemical Company
Catalog Number 19989
Lot Number 0487966-3
CAS Registry Number 129722-12-9
Cell Type Capillary tube
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27Cl2N3O2
IUPAC Name 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone
InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
InChIKey CEUORZQYGODEFX-UHFFFAOYSA-N
Molecular Weight 448.394 g/mol
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 1500 mW
Raman Laser Source Nd:YAG
SMILES N1c2cc(ccc2CCC1=O)OCCCCN1CCN(c2c(c(ccc2)Cl)Cl)CC1
Scans Performed 2816
Source of Spectrum Forensic Spectral Research
Synonyms OPC 31; OPC 14597
Technique FT-Raman