SpectraBase Spectrum ID |
KCNtGEnxOGD |
Name |
7-(2'-Methylprop)-(1,4)-dioxepin-3-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C13H16O3 |
InChI |
InChI=1S/C13H16O3/c1-9(2)5-10-3-4-12-13(6-10)16-8-11(14)7-15-12/h3-4,6,9H,5,7-8H2,1-2H3 |
InChIKey |
XHRYSSFJDBWTTA-UHFFFAOYSA-N |
Molecular Weight |
220.268 g/mol |
SMILES |
c12OCC(COc2ccc(c1)CC(C)C)=O |
SPLASH |
splash10-004i-1920000000-c695c54e512415ddb219 |
Source of Spectrum |
K1-2003-3742-26 |
Synonyms |
7-(2-Methylpropyl)-1,5-benzodioxepin-3-one |
Wiley ID |
1521527 |