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delta-9-Tetrahydrocannabinol PFP
SpectraBase Compound ID 3OPNKdRr5ud
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/t16-,17-/m1/s1
InChIKey YKOXIIBTJPGJRT-IAGOWNOFSA-N
Mol Weight 460.49 g/mol
Molecular Formula C24H29F5O3
Exact Mass 460.203686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nT942woinY
Name delta-9-Tetrahydrocannabinol PFP
Classification Phytocannabinoid derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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/t16-,17-/m1/s1
InChIKey YKOXIIBTJPGJRT-IAGOWNOFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 460.485 g/mol
Nominal Mass 460 u
Quality 964
Retention Index 2187
SMILES [C@@]12([C@](C3=C(OC2(C)C)C=C(C=C3OC(C(C(F)(F)F)(F)F)=O)CCCCC)(C=C(CC1)C)[H])[H]
SPLASH splash10-0002-2796500000-ea2e5a0d07dcad2b2f4e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl 2,2,3,3,3-\rpentafluoropropanoate
Technique GC/MS
Wiley ID DD2024_004356