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NPB-22

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

NPB-22
SpectraBase Compound ID IJTfeH3T3H9
InChI InChI=1S/C22H21N3O2/c1-2-3-6-15-25-18-12-5-4-11-17(18)21(24-25)22(26)27-19-13-7-9-16-10-8-14-23-20(16)19/h4-5,7-14H,2-3,6,15H2,1H3
InChIKey UWICFJAXLKCHTQ-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C22H21N3O2
Exact Mass 359.163377 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9KFYUzvlGHK
Name NPB-22
Source of Sample Cayman Chemical Company
Catalog Number 15535
Lot Number 0456148-10
CAS Registry Number 1445579-61-2
Classification indazole-based derivative of PB-22
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O2
IUPAC Name 1-Pentyl-1H-indazole-3-carboxylic acid, 8-quinolinyl ester
InChI InChI=1S/C22H21N3O2/c1-2-3-6-15-25-18-12-5-4-11-17(18)21(24-25)22(26)27-19-13-7-9-16-10-8-14-23-20(16)19/h4-5,7-14H,2-3,6,15H2,1H3
InChIKey UWICFJAXLKCHTQ-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c12ccccc2[n](nc1C(=O)Oc1c2ncccc2ccc1)CCCCC
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique KBr0