| SpectraBase Spectrum ID |
A0amLnScCLZ |
| Name |
di(Tert-butyl) (+)-(1-(phenylethyl-3-oxobutyl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.240624190 u |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-15(24)14-18(16(2)17-12-10-9-11-13-17)19(20(25)27-22(3,4)5)21(26)28-23(6,7)8/h9-13,16,18-19H,14H2,1-8H3 |
| InChIKey |
SEWZNYVTOQZNES-UHFFFAOYSA-N |
| Molecular Weight |
390.520 g/mol |
| SMILES |
C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)C(C(C1=CC=CC=C1)C)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98372 |
