| SpectraBase Spectrum ID |
4R8znPddijx |
| Name |
2-(Benzothiazol-2-ylbut-2-ynyloxymethyl)adamantan-2-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25NO2S |
| GC Column |
(30 m x 0.2 mm) |
| InChI |
InChI=1S/C22H25NO2S/c1-2-3-8-25-20(21-23-18-6-4-5-7-19(18)26-21)22(24)16-10-14-9-15(12-16)13-17(22)11-14/h4-7,14-17,20,24H,8-13H2,1H3/t14-,15+,16-,17+,20?,22- |
| InChIKey |
DFQTUQMKHIFJRQ-TZHNLOOZSA-N |
| Instrument Name |
Hewlett-Packard HP5890-5971 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0003.b19 |
| Molecular Weight |
367.507 g/mol |
| Optical Rotation |
[a]D22 = +11.1, [a]D22 = +13.0 |
| Quality |
37 |
| SMILES |
OC1(C(C=2SC3=C(N2)C=CC=C3)OCC#CC)[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |
| SPLASH |
splash10-03di-0900000000-9c50253471364c481439 |
| Sample Comments |
50% ee, 60% ee |
| Source of Spectrum |
ARK-2002-224-1l (DOI: 10.3998/ark.5550190.0003.b19) |
| Wiley ID |
1904582 |
