| SpectraBase Spectrum ID |
LlgGwAfEfM3 |
| Name |
rac-1-Phenylethyl 2-(3-oxobutyl)-1-tetralone-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.167459249 u |
| Formula |
C23H24O4 |
| InChI |
InChI=1S/C23H24O4/c1-16(24)12-14-23(15-13-19-10-6-7-11-20(19)21(23)25)22(26)27-17(2)18-8-4-3-5-9-18/h3-11,17H,12-15H2,1-2H3 |
| InChIKey |
OZXMRFWZDPBHGC-UHFFFAOYSA-N |
| Molecular Weight |
364.441 g/mol |
| SMILES |
C(CC(=O)C)C1(C(=O)OC(C)C2=CC=CC=C2)CCC=2C(=CC=CC2)C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837906 |
