| SpectraBase Spectrum ID |
JGXImKbTwkC |
| Name |
Cannabinol PFP |
| Classification |
Cannabis ingredient derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
456.172385477 u |
| Formula |
C24H25F5O3 |
| InChI |
InChI=1S/C24H25F5O3/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/h9-13H,5-8H2,1-4H3 |
| InChIKey |
MVZLALUSBHJYMJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
456.453 g/mol |
| Nominal Mass |
456 u |
| Quality |
965 |
| Retention Index |
2231 |
| SMILES |
C1=2C3=C(OC(C2C=CC(=C1)C)(C)C)C=C(C=C3OC(C(C(F)(F)F)(F)F)=O)CCCCC |
| SPLASH |
splash10-0006-0160900000-1aa19db0447a016a2f92 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cannabinol,pentafluoropropionate
6,6,9-trimethyl-3-pentyl-6H-benzo[c]chromen-1-yl 2,2,3,3,3-pentafluoropropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000424 |
