| SpectraBase Compound ID | HuscRQe7Y7r |
|---|---|
| InChI | InChI=1S/C31H37F3O4/c1-6-7-9-12-21-18-25(27-23-17-20(2)15-16-24(23)29(3,4)38-26(27)19-21)37-28(35)30(36-5,31(32,33)34)22-13-10-8-11-14-22/h8,10-11,13-14,17-19,23-24H,6-7,9,12,15-16H2,1-5H3/t23-,24-,30?/m1/s1 |
| InChIKey | WHNXBTDZOYANAH-JGTWLXFQSA-N |
| Mol Weight | 530.6 g/mol |
| Molecular Formula | C31H37F3O4 |
| Exact Mass | 530.264394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rm98T3gQ1V |
|---|---|
| Name | D9-Tetrahydrocannabinol (R)-(+)-alpha-methoxy-alpha-trifluoromethyl-phenyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 530.264394156 u |
| Formula | C31H37F3O4 |
| InChI | InChI=1S/C31H37F3O4/c1-6-7-9-12-21-18-25(27-23-17-20(2)15-16-24(23)29(3,4)38-26(27)19-21)37-28(35)30(36-5,31(32,33)34)22-13-10-8-11-14-22/h8,10-11,13-14,17-19,23-24H,6-7,9,12,15-16H2,1-5H3/t23-,24-,30?/m1/s1 |
| InChIKey | WHNXBTDZOYANAH-JGTWLXFQSA-N |
| Molecular Weight | 530.628 g/mol |
| SMILES | [C@@]12([C@](C(OC3=C2C(OC(C(C(F)(F)F)(C=2C=CC=CC2)OC)=O)=CC(=C3)CCCCC)(C)C)(CCC(=C1)C)[H])[H] |