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THJ 018

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 6 MS (GC)

THJ 018
SpectraBase Compound ID CEML8hpd1l6
InChI InChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3
InChIKey VAKGBPSFDNTMDJ-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C23H22N2O
Exact Mass 342.173213 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8DQSXMS6Bbu
Name THJ 018
Source of Sample Cayman Chemical Company
Catalog Number 11962
Lot Number 0453581-28
Apodization Function Norton-Beer, medium
CAS Registry Number 1364933-55-0
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O
IUPAC Name 1-Naphthalenyl(1-pentyl-1H-indazol-3-yl)methanone
InChI InChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3
InChIKey VAKGBPSFDNTMDJ-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 342.442 g/mol
SMILES C(=O)(c1cccc2ccccc12)c1n[n](c2c1cccc2)CCCCC
Source of Spectrum Forensic Spectral Research
Synonyms JWH 018 indazole analog
Technique KBr0