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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pNRDnX8YmK
Name NPB-22
Alternate Name(s) 1-Pentyl-1H-indazole-3-carboxylic acid, 8-quinolinyl ester quinolin-8-yl 1-pentyl-1H-indazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O2
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
Molecular Weight 359.429 g/mol
SMILES c1(c2c(ccc1)cccn2)OC(c1n[n](c2c1cccc2)CCCCC)=O
SPLASH splash10-014i-2790000000-67b091ed647420b90de5
Source of Spectrum SWG-33-3567-0
Wiley ID 1810351