| SpectraBase Spectrum ID |
2vpRIvQQW5p |
| Name |
5-(1-Benzyl-2-piperidylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.147058156 u |
| Formula |
C18H21NO4 |
| InChI |
InChI=1S/C18H21NO4/c1-18(2)22-16(20)15(17(21)23-18)14-10-6-7-11-19(14)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3 |
| InChIKey |
MOXURLYXUJYURB-UHFFFAOYSA-N |
| SMILES |
C1(C(OC(OC1=O)(C)C)=O)=C1N(CC=2C=CC=CC2)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835753 |
