| SpectraBase Spectrum ID |
C7YgAYQXkaE |
| Name |
(4S,5S)-2-(Chloromethyl)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.071306393 u |
| Formula |
C12H14ClNO2 |
| InChI |
InChI=1S/C12H14ClNO2/c1-15-8-10-12(16-11(7-13)14-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3/t10-,12-/m0/s1 |
| InChIKey |
XGHTZLYBINKALZ-JQWIXIFHSA-N |
| Molecular Weight |
239.702 g/mol |
| SMILES |
C=1(O[C@]([C@@](N1)(COC)[H])(C=1C=CC=CC1)[H])CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934848 |
