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2-(1-(Cyclohexylmethyl)-1H-indazole-3-carboxamido)-3-methylbutanoic acid
SpectraBase Compound ID 1v8MsljKkHJ
InChI InChI=1S/C20H27N3O3/c1-13(2)17(20(25)26)21-19(24)18-15-10-6-7-11-16(15)23(22-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,21,24)(H,25,26)
InChIKey FWDOPMKLKXLVEL-UHFFFAOYSA-N
Mol Weight 357.45 g/mol
Molecular Formula C20H27N3O3
Exact Mass 357.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsIvgaQaMGP
Name 2-(1-(Cyclohexylmethyl)-1H-indazole-3-carboxamido)-3-methylbutanoic acid
Classification Indazole cannabinoid designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 357.205241738 u
Formula C20H27N3O3
InChI InChI=1S/C20H27N3O3/c1-13(2)17(20(25)26)21-19(24)18-15-10-6-7-11-16(15)23(22-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,21,24)(H,25,26)
InChIKey FWDOPMKLKXLVEL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 357.454 g/mol
Nominal Mass 357 u
Quality 981
Retention Index 2842
SMILES OC(C(NC(C=1C=2C(N(N1)CC1CCCCC1)=CC=CC2)=O)C(C)C)=O
SPLASH splash10-0006-5792000000-1d720f226a3dbe7e5adc
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(((1-(cyclohexylmethyl)-1H-indazol-3-yl)carbonyl)amino)-3-methylbutanoic acid
Technique GC/MS
Wiley ID DD2024_018946