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delta-9-Tetrahydrocannabinol
SpectraBase Compound ID Eg2WDGouzjL
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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
InChIKey CYQFCXCEBYINGO-IAGOWNOFSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K5FTWjuS7E
Name delta-9-Tetrahydrocannabinol
CAS Registry Number 1972-08-3
Classification Phytocannabinoid
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.12 (f) (2)
DEA Controlled Substance Name Dronabinol
DEA Controlled Substances Code Number 7365
DEA Schedule Schedule II
DEA Section Hallucinogenic substances
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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
InChIKey CYQFCXCEBYINGO-IAGOWNOFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 314.469 g/mol
Nominal Mass 314 u
Quality 995
Retention Index 2529
SMILES OC=1C=2[C@]3([C@](C(OC2C=C(C1)CCCCC)(C)C)(CCC(=C3)C)[H])[H]
SPLASH splash10-01wb-1492000000-c77e82d940c51d70368b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms THC delta-9-THC (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Technique GC/MS
Wiley ID DD2024_031016