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Ethyl 2-((3,3-dimethyl-2-(((1-pentyl-1H-indazol-3-yl)carbonyl)amino)butanoyl)amino)-3,3-\rdimethylbutanoate
SpectraBase Compound ID AUjM6UoaPtu
InChI InChI=1S/C27H42N4O4/c1-9-11-14-17-31-19-16-13-12-15-18(19)20(30-31)23(32)28-21(26(3,4)5)24(33)29-22(27(6,7)8)25(34)35-10-2/h12-13,15-16,21-22H,9-11,14,17H2,1-8H3,(H,28,32)(H,29,33)
InChIKey RJIMNGFRUDEBSP-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C27H42N4O4
Exact Mass 486.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mkGZq5FDVo
Name Ethyl 2-((3,3-dimethyl-2-(((1-pentyl-1H-indazol-3-yl)carbonyl)amino)butanoyl)amino)-3,3-\rdimethylbutanoate
Classification Indazole cannabinoid designer drug artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 486.320605844 u
Formula C27H42N4O4
InChI InChI=1S/C27H42N4O4/c1-9-11-14-17-31-19-16-13-12-15-18(19)20(30-31)23(32)28-21(26(3,4)5)24(33)29-22(27(6,7)8)25(34)35-10-2/h12-13,15-16,21-22H,9-11,14,17H2,1-8H3,(H,28,32)(H,29,33)
InChIKey RJIMNGFRUDEBSP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 486.657 g/mol
Nominal Mass 486 u
Quality 1000
Retention Index 3782
SMILES C=1(C=2C(N(N1)CCCCC)=CC=CC2)C(NC(C(NC(C(C)(C)C)C(OCC)=O)=O)C(C)(C)C)=O
SPLASH splash10-0uxr-3579000000-393456349619f9f63d9b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms ethyl-2-((3,3-dimethyl-2-(((1-pentyl-1H-indazol-3-yl)carbonyl)amino)butanoyl)amino)-3,3-\rdimethylbutanoate
Technique GC/MS
Wiley ID DD2024_032734