| SpectraBase Spectrum ID |
6joOpJNuu9u |
| Name |
rac-7-isopropuyl-5,10-dimethyl-1-methoxycarbonylheptalene-2-carboxylic acid |
| Alternate Name(s) |
7-isopropyl-1-(methoxycarbonyl)-5,10-dimethyl-2-heptalenecarboxylic acid |
| CAS Registry Number |
98525-09-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-11(2)14-8-6-13(4)17-16(10-14)12(3)7-9-15(19(21)22)18(17)20(23)24-5/h6-11H,1-5H3,(H,21,22) |
| InChIKey |
CMHYAKBETHAMFH-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
OC(C1=C(C=2C(C=C(C(C)C)C=CC2C)=C(C=C1)C)C(=O)OC)=O |
| SPLASH |
splash10-0006-0090000000-dda93ebb6f73e0bf3a53 |
| Source of Spectrum |
H-68-422-3 |
| Wiley ID |
1324960 |
