| SpectraBase Spectrum ID |
H82bA4OnWLx |
| Name |
(2S,6S)-6-Hydroxy-1-methyl-8-(thiophen-3-yl)-1,2,3,4-tetrahydro-2,6-methanobenzazocin-5-one |
| Appearance |
Yellow foam |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.097999963 u |
| Formula |
C17H17NO2S |
| InChI |
InChI=1S/C17H17NO2S/c1-18-13-3-5-16(19)17(20,9-13)14-8-11(2-4-15(14)18)12-6-7-21-10-12/h2,4,6-8,10,13,20H,3,5,9H2,1H3/t13-,17-/m0/s1 |
| InChIKey |
CQKOPCXTQLUEGK-GUYCJALGSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405852 |
| Molecular Weight |
299.388 g/mol |
| Quality |
109 |
| Reported Formula |
C17H17NO2S |
| SMILES |
O[C@]12C=3C=C(C=CC3N([C@](C1)(CCC2=O)[H])C)C=1C=CSC1 |
| SPLASH |
splash10-0007-0090000000-6bde17fae16e0c2c9a92 |
| Source of Spectrum |
QE-21-SM25-32 (DOI: 10.1002/chem.201405852) |
| Thin-Layer Chromatography |
0.24 (cyclohexane/Et2O, 1:1) |
| Wiley ID |
1907604 |
