| SpectraBase Spectrum ID |
KttQfwqJYhp |
| Name |
(2S,6S)-6-Hydroxy-1-methyl-8-(phenylethynyl)-1,2,3,4-tetrahydro-2,6-methanobenzazocin-5-one |
| Appearance |
Yellowish solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.141578854 u |
| Formula |
C21H19NO2 |
| InChI |
InChI=1S/C21H19NO2/c1-22-17-10-12-20(23)21(24,14-17)18-13-16(9-11-19(18)22)8-7-15-5-3-2-4-6-15/h2-6,9,11,13,17,24H,10,12,14H2,1H3/t17-,21-/m0/s1 |
| InChIKey |
LCISPQRHRHRZJY-UWJYYQICSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405852 |
| Molecular Weight |
317.388 g/mol |
| Quality |
48 |
| Reported Formula |
C22H19NO2 |
| SMILES |
O[C@]12C=3C=C(C=CC3N([C@](C1)(CCC2=O)[H])C)C#CC1=CC=CC=C1 |
| SPLASH |
splash10-03xr-0094000000-9bb8bdcac93ad3d89abf |
| Source of Spectrum |
QE-21-SM25-33 (DOI: 10.1002/chem.201405852) |
| Thin-Layer Chromatography |
0.20 (cyclohexane/Et2O, 1:1) |
| Wiley ID |
1907605 |
