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JWH-081 3-methoxynaphthyl isomer
SpectraBase Compound ID BSApqFrUXF2
InChI InChI=1S/C25H25NO2/c1-3-4-9-14-26-17-23(21-12-7-8-13-24(21)26)25(27)22-16-19(28-2)15-18-10-5-6-11-20(18)22/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3
InChIKey MGSSAESHPAJYSC-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C25H25NO2
Exact Mass 371.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6dfaXvKy6zS
Name JWH-081 3-Methoxynaphthyl isomer
Source of Sample Cayman Chemical Company
Catalog Number 9001045
Lot Number 0431272-14
Apodization Function Triangular
CAS Registry Number 1696409-36-5
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 C25H25NO2
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 (3-Methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone
InChI InChI=1S/C25H25NO2/c1-3-4-9-14-26-17-23(21-12-7-8-13-24(21)26)25(27)22-16-19(28-2)15-18-10-5-6-11-20(18)22/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3
InChIKey MGSSAESHPAJYSC-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 371.480 g/mol
Purity >=98%
Resolution 8 cm-1
Source of Spectrum Forensic Spectral Research
Technique Vapor Phase
UV - Neutral Conditions UVmax (nm): 223, 319