| SpectraBase Spectrum ID |
4gtOGzVa6I1 |
| Name |
6-(3-Chlorobenzoyloxy)-3,8-di-tert-butyl-2,2,9,9-tetramethyl-3,6,7-decatrien-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.274422877 u |
| Formula |
C29H41ClO3 |
| InChI |
InChI=1S/C29H41ClO3/c1-26(2,3)23(27(4,5)6)17-21(31)22(18-24(28(7,8)9)29(10,11)12)33-25(32)19-14-13-15-20(30)16-19/h13-17H,1-12H3 |
| InChIKey |
RSGQSSFNQMUOBQ-UHFFFAOYSA-N |
| Molecular Weight |
473.097 g/mol |
| SMILES |
C(=C=C(C(C)(C)C)C(C)(C)C)(C(C=C(C(C)(C)C)C(C)(C)C)=O)OC(C=1C=C(Cl)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909415 |
