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Tetrahydrocannabinol isomer-1 PFP @

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

Tetrahydrocannabinol isomer-1 PFP @
SpectraBase Compound ID L9wB9ZS0zzS
InChI InChI=1S/C24H29F5O3/c1-5-6-7-8-15-12-18(31-21(30)23(25,26)24(27,28)29)20-16-11-14(2)9-10-17(16)22(3,4)32-19(20)13-15/h11-13,16-17H,5-10H2,1-4H3
InChIKey YKOXIIBTJPGJRT-UHFFFAOYSA-N
Mol Weight 460.49 g/mol
Molecular Formula C24H29F5O3
Exact Mass 460.203686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gy9d1z1cxLD
Name Tetrahydrocannabinol isomer-2 P1602
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.203685606 u
Formula C24H29F5O3
InChI InChI=1S/C24H29F5O3/c1-5-6-7-8-15-12-18(31-21(30)23(25,26)24(27,28)29)20-16-11-14(2)9-10-17(16)22(3,4)32-19(20)13-15/h11-13,16-17H,5-10H2,1-4H3
InChIKey YKOXIIBTJPGJRT-UHFFFAOYSA-N
Molecular Weight 460.485 g/mol
SMILES C(C(OC=1C=2C3C(CCC(=C3)C)C(OC2C=C(C1)CCCCC)(C)C)=O)(C(F)(F)F)(F)F