| SpectraBase Spectrum ID |
L6XPxQVhAUt |
| Name |
4-Isopropyl-6-(4-isopropylphenyl)methyl-6,7,7A,9,0,10,11,11A-octahydro-8,8,11A-trimethylnaphtha[1,2-C]oxepin-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.297745145 u |
| Formula |
C30H40O3 |
| InChI |
InChI=1S/C30H40O3/c1-18(2)21-11-9-20(10-12-21)15-22-16-25-29(5,6)13-8-14-30(25,7)26-24(22)17-23(19(3)4)27(31)33-28(26)32/h9-12,17-19,22,25H,8,13-16H2,1-7H3/t22-,25+,30+/m1/s1 |
| InChIKey |
NQFOSKZIWYOTPI-ZOTUOOSYSA-N |
| Molecular Weight |
448.647 g/mol |
| SMILES |
C12=C(C=C(C(C)C)C(OC2=O)=O)[C@@](C[C@@]2([C@@]1(CCCC2(C)C)C)[H])(CC=1C=CC(C(C)C)=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841697 |
![4-Isopropyl-6-(4-isopropylphenyl)methyl-6,7,7a,9,0,10,11,11a-octahydro-8,8,11a-trimethylnaphtha[1,2-c]oxepin-1,3-dione](/api/spectrum/L6XPxQVhAUt/structure.png?h=300&w=458 "4-Isopropyl-6-(4-isopropylphenyl)methyl-6,7,7a,9,0,10,11,11a-octahydro-8,8,11a-trimethylnaphtha[1,2-c]oxepin-1,3-dione")
