| SpectraBase Spectrum ID |
AINy83pfglZ |
| Name |
4-Methoxy-3,3-dimethyl-7-(1',3',3'-trimethyl-2'-oxocyclohexan-1'-yl)-isobenzofuran-1(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.183109313 u |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c1-18(2)10-7-11-20(5,17(18)22)12-8-9-13(23-6)15-14(12)16(21)24-19(15,3)4/h8-9H,7,10-11H2,1-6H3/t20-/m1/s1 |
| InChIKey |
WHSZCXTUUQSREZ-HXUWFJFHSA-N |
| Molecular Weight |
330.424 g/mol |
| SMILES |
C1(=O)OC(C)(C)C2=C(OC)C=CC(=C12)[C@]1(C)C(=O)C(C)(C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863059 |
