| SpectraBase Spectrum ID |
Iqj6If5WeXs |
| Name |
1-Tert-butyl 3-methyl 2-benzylmalonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-15(2,3)19-14(17)12(13(16)18-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3 |
| InChIKey |
KVVXWEOYRWAPMV-UHFFFAOYSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
COC(=O)C(C(OC(C)(C)C)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883261 |
