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JWH-031
SpectraBase Compound ID CszvS0ei0fJ
InChI InChI=1S/C21H23NO/c1-2-3-4-7-14-22-15-13-18(16-22)21(23)20-12-8-10-17-9-5-6-11-19(17)20/h5-6,8-13,15-16H,2-4,7,14H2,1H3
InChIKey QTWPXDHMBKIWDK-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 Bg6ZmOaPi2G
Name JWH-031
Source of Sample Cayman Chemical Company
Catalog Number 10824
Lot Number 0435751-19
Apodization Function Triangular
CAS Registry Number 162934-74-9
Carrier Gas Nitrogen (1 mL/min)
Cell Type Flow cell with gold-coated lightpipe (pyrex glass) and KBr windows
Copyright Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-3-yl)-1-naphthalenylmethanone
InChI InChI=1S/C21H23NO/c1-2-3-4-7-14-22-15-13-18(16-22)21(23)20-12-8-10-17-9-5-6-11-19(17)20/h5-6,8-13,15-16H,2-4,7,14H2,1H3
InChIKey QTWPXDHMBKIWDK-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): 217, 281