SpectraBase Spectrum ID |
H5r5qyeEwQi |
Name |
Benzoic acid, 5-methylene-1,1,4A-trimethyldecalin-6-on-2-yl ester (8A.beta.) |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
326.188194694 u |
Formula |
C21H26O3 |
InChI |
InChI=1S/C21H26O3/c1-14-16(22)10-11-17-20(2,3)18(12-13-21(14,17)4)24-19(23)15-8-6-5-7-9-15/h5-9,17-18H,1,10-13H2,2-4H3 |
InChIKey |
WBCUSRXECMDRDM-UHFFFAOYSA-N |
Molecular Weight |
326.436 g/mol |
SMILES |
C1=CC=CC(=C1)C(OC1C(C)(C)C2CCC(=O)C(C2(C)CC1)=C)=O |