SpectraBase Spectrum ID |
2nnAktmpWAC |
Name |
delta8-Tetrahydrocannabinol |
CAS Registry Number |
5957-75-5 |
Classification |
Phytocannabinoid |
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 |
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/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1 |
InChIKey |
HCAWPGARWVBULJ-IAGOWNOFSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
314.469 g/mol |
Nominal Mass |
314 u |
Quality |
998 |
Retention Index |
2350 |
SMILES |
OC=1C=2[C@]3([C@](C(OC2C=C(C1)CCCCC)(C)C)(CC=C(C3)C)[H])[H] |
SPLASH |
splash10-001i-4791000000-1a71eb1be6264e8351ca |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
D8-THC
(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol |
Technique |
GC/MS |
Wiley ID |
DD2024_008267 |