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delta-8-Tetrahydrocannabinol

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 6 MS (GC)

delta-8-Tetrahydrocannabinol
SpectraBase Compound ID CXEocwWIbTF
InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
InChIKey HCAWPGARWVBULJ-IAGOWNOFSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DLruTzHJjn5
Name Delta-8 tetrahydrocannabinol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.224580204 u
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
InChIKey HCAWPGARWVBULJ-IAGOWNOFSA-N
SMILES OC=1C=C(C=C2C1[C@@]1(CC(=CC[C@]1(C(O2)(C)C)[H])C)[H])CCCCC
Spectrum/Structure Validation Score (Raman) 0.826446