SpectraBase Spectrum ID |
5YEfKMkw58i |
Name |
delta-9-Tetrahydrocannabinol TFA |
CAS Registry Number |
86702-79-6 |
Classification |
Phytocannabinoid derivative |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
410.206879280 u |
Formula |
C23H29F3O3 |
InChI |
InChI=1S/C23H29F3O3/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/h11-13,16-17H,5-10H2,1-4H3/t16-,17-/m1/s1 |
InChIKey |
SRIMOVWPMJEATH-IAGOWNOFSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
410.477 g/mol |
Nominal Mass |
410 u |
Quality |
961 |
Retention Index |
2207 |
SMILES |
[C@@]12([C@](C3=C(OC2(C)C)C=C(C=C3OC(C(F)(F)F)=O)CCCCC)(C=C(CC1)C)[H])[H] |
SPLASH |
splash10-01ot-2698100000-315d875517b6264732f6 |
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 \rtrifluoroacetate |
Technique |
GC/MS |
Wiley ID |
DD2024_004359 |