| SpectraBase Spectrum ID |
3IWz1bRhV4p |
| Name |
(R)-(-)-methyl 2,5-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.084457899 u |
| Formula |
C12H13NO4 |
| InChI |
InChI=1S/C12H13NO4/c1-7-5-4-6-8-9(7)13-10(14)12(2,17-8)11(15)16-3/h4-6H,1-3H3,(H,13,14)/t12-/m1/s1 |
| InChIKey |
VCZCTYFORGQNKW-GFCCVEGCSA-N |
| Molecular Weight |
235.239 g/mol |
| SMILES |
[C@]1(C(NC=2C(O1)=CC=CC2C)=O)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907213 |
