| SpectraBase Spectrum ID |
DNuXbOqMCIm |
| Name |
1-Benzoyl-2,5-methylene-L-rhamnitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.110338294 u |
| Formula |
C14H18O6 |
| InChI |
InChI=1S/C14H18O6/c1-9-12(15)13(16)11(20-8-19-9)7-18-14(17)10-5-3-2-4-6-10/h2-6,9,11-13,15-16H,7-8H2,1H3 |
| InChIKey |
KXLVIQCGYXNBDP-UHFFFAOYSA-N |
| SMILES |
C1OC(C(C(C(O1)C)O)O)COC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901109 |
