| SpectraBase Spectrum ID |
8JiH3lLAvqa |
| Name |
Cannabicitran |
| CAS Registry Number |
31508-71-1 |
| Classification |
Cannabis ingredient |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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/c1-5-6-7-8-14-11-17-19-15-13-21(4,23-18(19)12-14)10-9-16(15)20(2,3)22-17/h11-12,15-16H,5-10,13H2,1-4H3/t15-,16+,21-/m0/s1 |
| InChIKey |
IXJXRDCCQRZSDV-MRUHUIDDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.469 g/mol |
| Nominal Mass |
314 u |
| Quality |
994 |
| Retention Index |
2391 |
| SMILES |
[C@@]12(C=3C=4OC([C@@]2(CC[C@@](C1)(OC3C=C(C4)CCCCC)C)[H])(C)C)[H] |
| SPLASH |
splash10-001i-3491000000-719e076eebeb0a5e610a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
CBT
6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-1,9-epoxybenzo[c]chromene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032502 |
