| SpectraBase Spectrum ID |
29HYDINY4ls |
| Name |
4a,7-Methano-4aH-benzocycloheptene-4,6(5H,7H)-dione, 8,9-dihydro-7-hydroxy-1-(3-oxobutyl)-, (.+-.)- |
| Alternate Name(s) |
7-Hydroxy-1-(3'-oxobutyl)-8,9-dihydro-4a,7-methano-4ah-benzocycloheptene-4,6(5H,7H)-dione
9-hydroxy-5-(3-oxobutyl)tricyclo[7.2.1.0(1,6)]dodeca-3,5-diene-2,10-dione |
| CAS Registry Number |
80535-54-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O4 |
| InChI |
InChI=1S/C16H18O4/c1-10(17)2-3-11-4-5-13(18)15-8-14(19)16(20,9-15)7-6-12(11)15/h4-5,20H,2-3,6-9H2,1H3 |
| InChIKey |
CPRJMCSBJPTZQK-UHFFFAOYSA-N |
| Molecular Weight |
274.316 g/mol |
| SMILES |
OC12CC3(C(=C(CCC(=O)C)C=CC3=O)CC1)CC2=O |
| SPLASH |
splash10-00di-0290000000-7a4e4f1d595210debc69 |
| Source of Spectrum |
B-34-1897-0 |
| Wiley ID |
1278195 |
