| SpectraBase Spectrum ID |
3etqNYSrc5d |
| Name |
2-(butyrylmethylene)-N-(cyclohex-1-enyl)-2,3-dihydro-1,3-benzothiazole |
| Alternate Name(s) |
(1Z)-1-(3-(1-cyclohexen-1-yl)-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H21NOS |
| InChI |
InChI=1S/C18H21NOS/c1-2-8-15(20)13-18-19(14-9-4-3-5-10-14)16-11-6-7-12-17(16)21-18/h6-7,9,11-13H,2-5,8,10H2,1H3/b18-13- |
| InChIKey |
DZBJWZGDOAEMEU-AQTBWJFISA-N |
| Molecular Weight |
299.432 g/mol |
| SMILES |
c12N(\C(Sc1cccc2)=C\C(=O)CCC)C1=CCCCC1 |
| SPLASH |
splash10-004i-0090000000-b532d268f73c22ed95be |
| Source of Spectrum |
KC-1991-1508-4 |
| Wiley ID |
1302094 |
