| SpectraBase Spectrum ID |
Ex5HpTONSra |
| Name |
2-Ethyl-6(R)-phenyl-1,3,4-oxadiazin-5(6H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.089877632 u |
| Formula |
C11H12N2O2 |
| InChI |
InChI=1S/C11H12N2O2/c1-2-9-12-13-11(14)10(15-9)8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,13,14)/t10-/m1/s1 |
| InChIKey |
DTFVKBAUQDYUHC-SNVBAGLBSA-N |
| Molecular Weight |
204.229 g/mol |
| SMILES |
C1(NN=C(O[C@@]1(C1=CC=CC=C1)[H])CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856542 |
