| SpectraBase Spectrum ID |
IR2AksNGmdD |
| Name |
di-Tert-butyl 4-(1,4,4-trimethyl-3-oxopentyl)-2,3-dimethylpentadioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.303224447 u |
| Formula |
C23H42O5 |
| InChI |
InChI=1S/C23H42O5/c1-14(13-17(24)21(4,5)6)18(20(26)28-23(10,11)12)15(2)16(3)19(25)27-22(7,8)9/h14-16,18H,13H2,1-12H3 |
| InChIKey |
QVTKOACQKGORLJ-UHFFFAOYSA-N |
| Molecular Weight |
398.584 g/mol |
| SMILES |
C(C(C(C(C(OC(C)(C)C)=O)C)C)C(CC(C(C)(C)C)=O)C)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812305 |
