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ADB-HEXINACA N-hexanoic acid metabolite
SpectraBase Compound ID 4Nr8YMkp2qy
InChI InChI=1S/C20H28N4O4/c1-20(2,3)17(18(21)27)22-19(28)16-13-9-6-7-10-14(13)24(23-16)12-8-4-5-11-15(25)26/h6-7,9-10,17H,4-5,8,11-12H2,1-3H3,(H2,21,27)(H,22,28)(H,25,26)/t17-/m1/s1
InChIKey GOUAJHAGLSJAFV-QGZVFWFLSA-N
Mol Weight 388.47 g/mol
Molecular Formula C20H28N4O4
Exact Mass 388.211055 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9nU5v9Jr8SA
Name ADB-HEXINACA N-hexanoic acid metabolite
Source of Sample Cayman Chemical Company
Catalog Number 35773
Lot Number 0636797-6
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
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Formula C20H28N4O4
InChI InChI=1S/C20H28N4O4/c1-20(2,3)17(18(21)27)22-19(28)16-13-9-6-7-10-14(13)24(23-16)12-8-4-5-11-15(25)26/h6-7,9-10,17H,4-5,8,11-12H2,1-3H3,(H2,21,27)(H,22,28)(H,25,26)/t17-/m1/s1
InChIKey GOUAJHAGLSJAFV-QGZVFWFLSA-N
Instrument Name Bio-Rad FTS
SMILES OC(CCCCC[n]1nc(C(=O)N[C@](C(N)=O)(C(C)(C)C)[H])c2c1cccc2)=O
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat