| SpectraBase Spectrum ID |
8LHKSdpFETD |
| Name |
1-acetyl-1,2,3,5,6,7,8,9-octahydrobenzocyclohepten-4-one |
| Alternate Name(s) |
1-acetyl-1,2,3,5,6,7,8,9-octahydrobenzo[7]annulen-4-one
1-ethanoyl-1,2,3,5,6,7,8,9-octahydrobenzo[7]annulen-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-9(14)10-7-8-13(15)12-6-4-2-3-5-11(10)12/h10H,2-8H2,1H3 |
| InChIKey |
PNUVGITXSXYBFL-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C1=2CCCCCC2C(CCC1C(=O)C)=O |
| SPLASH |
splash10-03di-0910000000-f066ead4fe9e786d14ad |
| Source of Spectrum |
J-66-1401-32 |
| Wiley ID |
1534599 |
