| SpectraBase Compound ID | Cdxzh4df9we |
|---|---|
| InChI | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1 |
| InChIKey | FQXXSQDCDRQNQE-VMDGZTHMSA-N |
| Mol Weight | 311.38 g/mol |
| Molecular Formula | C19H21NO3 |
| Exact Mass | 311.152144 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A0UIt2yliTT |
|---|---|
| Name | Thebaine |
| Catalog Number | 36540 |
| Lot Number | 641299 |
| CAS Registry Number | 115-37-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.152143537 u |
| Formula | C19H21NO3 |
| InChI | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1 |
| InChIKey | FQXXSQDCDRQNQE-VMDGZTHMSA-N |
| Molecular Weight | 311.381 g/mol |
| Purity | >=98% |
| Quality | 1000 |
| SMILES | C=1([C@]2([C@]34C5=C(O2)C(=CC=C5C[C@](C3=CC1)(N(CC4)C)[H])OC)[H])OC |
| SPLASH | splash10-03dj-2693000000-b2c26596adb42bc2930b |
| Source of Spectrum | CAY-2024-2344-0 |
| Synonyms | (–)-Thebaine Paramorphine (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,3,4,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline (1S,5R,13R)-10,14-dimethoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7,9,11(18),14,16-pentaene |
| Wiley ID | 1890516 |