| SpectraBase Spectrum ID |
KbxSpi3e9rn |
| Name |
1R-4T-Benzamido-5,6-T-dimethoxy-2-cylohexenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.131408092 u |
| Formula |
C15H19NO4 |
| InChI |
InChI=1S/C15H19NO4/c1-19-13-11(8-9-12(17)14(13)20-2)16-15(18)10-6-4-3-5-7-10/h3-9,11-14,17H,1-2H3,(H,16,18)/t11-,12-,13-,14+/m1/s1 |
| InChIKey |
ITVJUAZRUKDJSC-SYQHCUMBSA-N |
| SMILES |
[C@@]1([C@](NC(=O)C2=CC=CC=C2)(C=C[C@]([C@@]1(OC)[H])(O)[H])[H])(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878987 |
