| SpectraBase Spectrum ID |
GmR6BsBnDud |
| Name |
2-(butyrylmethylene)-N-(cyclohept-1-enyl)-2,3-dihydro-1,3-benzothiazole |
| Alternate Name(s) |
(1Z)-1-(3-(1-cyclohepten-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 |
C19H23NOS |
| InChI |
InChI=1S/C19H23NOS/c1-2-9-16(21)14-19-20(15-10-5-3-4-6-11-15)17-12-7-8-13-18(17)22-19/h7-8,10,12-14H,2-6,9,11H2,1H3/b19-14- |
| InChIKey |
WLMYFEGGSPCSET-RGEXLXHISA-N |
| Molecular Weight |
313.459 g/mol |
| SMILES |
c12N(\C(Sc1cccc2)=C\C(=O)CCC)C1=CCCCCC1 |
| SPLASH |
splash10-0006-0092000000-f806c1b23aef451d47cd |
| Source of Spectrum |
KC-1991-1509-4 |
| Wiley ID |
1314353 |
