| SpectraBase Spectrum ID |
9tBnjBzMUn1 |
| Name |
4a,7-Methano-4aH-benzocycloheptene-4,6(5H,7H)-dione, 8,9-dihydro-1-(3-oxobutyl)-, (.+-.)- |
| Alternate Name(s) |
1-(3'-Oxobutyl)-8,9-dihydro-4a,7-methano-4ah-benzocycloheptene-4,6(5H,7H)-dione
5-(3-oxobutyl)tricyclo[7.2.1.0(1,6)]dodeca-3,5-diene-2,10-dione |
| CAS Registry Number |
80535-53-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O3 |
| InChI |
InChI=1S/C16H18O3/c1-10(17)2-3-11-5-7-15(19)16-8-12(14(18)9-16)4-6-13(11)16/h5,7,12H,2-4,6,8-9H2,1H3 |
| InChIKey |
DADBRGUSPIYBCE-UHFFFAOYSA-N |
| Molecular Weight |
258.317 g/mol |
| SMILES |
C123C(=C(CCC(=O)C)C=CC3=O)CCC(C1)C(C2)=O |
| SPLASH |
splash10-0pb9-0090000000-f848ca43985241a2a0a8 |
| Source of Spectrum |
B-34-1897-0 |
| Wiley ID |
1262025 |
