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5-Bromo-THJ-018

View entire compound with spectra: 2 MS (GC)

5-Bromo-THJ-018
SpectraBase Compound ID I3nUjyz9cu4
InChI InChI=1S/C23H21BrN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2
InChIKey CHDPCRSBPAVUIZ-UHFFFAOYSA-N
Mol Weight 421.34 g/mol
Molecular Formula C23H21BrN2O
Exact Mass 420.083726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YCjHRkWwIE
Name 5-Bromo-THJ-018
Alternate Name(s) THJ-018 bromo analogue (1-(5-Bromopentyl)-1H-indazol-3-yl)(naphthalen-1-yl)methanone 5-Br-THJ-018
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21BrN2O
InChI InChI=1S/C23H21BrN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2
InChIKey CHDPCRSBPAVUIZ-UHFFFAOYSA-N
Molecular Weight 421.338 g/mol
SMILES c1cc2c(cc1)cccc2C(=O)c1c2c([n](n1)CCCCCBr)cccc2
SPLASH splash10-00fr-2950200000-60c4962955c0f644670c
Source of Spectrum SWG-33-4642-0
Wiley ID 1811238