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JWH-031 2'-isomer
SpectraBase Compound ID B4P6NPh1pbV
InChI InChI=1S/C21H23NO/c1-2-3-4-7-15-22-16-9-14-20(22)21(23)19-13-8-11-17-10-5-6-12-18(17)19/h5-6,8-14,16H,2-4,7,15H2,1H3
InChIKey BLHPKPCKNONGJP-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C21H23NO
Exact Mass 305.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LXhN7wqEY1j
Name JWH-031 2'-isomer
Source of Sample Cayman Chemical Company
Catalog Number 11631
Lot Number 0440181-4
Apodization Function Triangular
CAS Registry Number 1797106-18-3
Carrier Gas Nitrogen (1 mL/min)
Cell Type Flow cell with gold-coated lightpipe (pyrex glass) and KBr windows
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Detector MCT wideband
Formula C21H23NO
GC Column Supelco SPB-1 (1.8 m x 0.32 mm ID x 0.25 µm film thickness)
GC Oven Program 180 °C (0.30 min hold) - 285 °C (10 °C/min) and 5 min hold
IUPAC Name (1-Hexyl-1H-pyrrol-2-yl)-1-naphthalenylmethanone
InChI InChI=1S/C21H23NO/c1-2-3-4-7-15-22-16-9-14-20(22)21(23)19-13-8-11-17-10-5-6-12-18(17)19/h5-6,8-14,16H,2-4,7,15H2,1H3
InChIKey BLHPKPCKNONGJP-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name HP 5890 Series II / HP 5965B (GC/IRD)
Instrument Properties Gram-Schmidt vector orthogonalization number of basis vectors: 8 number of basis coadditions: 5 vector offset: 60 points vector length: 100 points
Interferogram Mode Name Symmetry
Molecular Weight 305.421 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 218, 302