| SpectraBase Compound ID | 8ip39ztVcZ0 |
|---|---|
| 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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1/i1D3,5D2,6D2,7D2 |
| InChIKey | CYQFCXCEBYINGO-OGIBJJSFSA-N |
| Mol Weight | 323.52 g/mol |
| Molecular Formula | C21H21D9O2 |
| Exact Mass | 323.281071 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LMjx2PM5w |
|---|---|
| Name | .delta.9-THC-d9 (exempt preparation) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.281070917 u |
| Formula | C21H21D9O2 |
| 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/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1/i1D3,5D2,6D2,7D2 |
| InChIKey | CYQFCXCEBYINGO-OGIBJJSFSA-N |
| Molecular Weight | 323.524 g/mol |
| Quality | 993 |
| SMILES | OC=1C2=C(OC([C@]3([C@]2(C=C(C)CC3)[H])[H])(C)C)C=C(C1)CC([D])([D])C([D])([D])C([D])([D])C([D])([D])[D] |
| SPLASH | splash10-0abc-2595000000-c706c55d1770ba0cfba7 |
| Source of Spectrum | CAY-2024-326-0 |
| Synonyms | (6aR,10aR)-6,6,9-trimethyl-3-(pentyl-2,2,3,3,4,4,5,5,5-d9)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (6aR,10aR)-6,6,9-trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-ol |
| Wiley ID | 1890541 |