For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cannabinol TFA
SpectraBase Compound ID FkK2we1JngQ
InChI InChI=1S/C23H25F3O3/c1-5-6-7-8-15-12-18(28-21(27)23(24,25)26)20-16-11-14(2)9-10-17(16)22(3,4)29-19(20)13-15/h9-13H,5-8H2,1-4H3
InChIKey JPFWCOXQOMQJPC-UHFFFAOYSA-N
Mol Weight 406.45 g/mol
Molecular Formula C23H25F3O3
Exact Mass 406.175579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A9IrisHKKF0
Name Cannabinol TFA
Classification Cannabis ingredient derivative
Comments Spectrum verified by crosschecking against external libraries (one 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.
Exact Mass 406.175579151 u
Formula C23H25F3O3
InChI InChI=1S/C23H25F3O3/c1-5-6-7-8-15-12-18(28-21(27)23(24,25)26)20-16-11-14(2)9-10-17(16)22(3,4)29-19(20)13-15/h9-13H,5-8H2,1-4H3
InChIKey JPFWCOXQOMQJPC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 406.445 g/mol
Nominal Mass 406 u
Quality 993
Retention Index 2984
SMILES C1=2C3=C(OC(C2C=CC(=C1)C)(C)C)C=C(C=C3OC(C(F)(F)F)=O)CCCCC
SPLASH splash10-0006-1239000000-870173b1b48ce6d6fa98
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Cannabinol,trifluoroacetate 6,6,9-trimethyl-3-pentyl-6H-benzo[c]chromen-1-yl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_021676