| SpectraBase Spectrum ID |
HaeEv64Iimj |
| Name |
(R)-(-)-methyl 6-methoxy-2-methyl-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 |
251.079372518 u |
| Formula |
C12H13NO5 |
| InChI |
InChI=1S/C12H13NO5/c1-12(11(15)17-3)10(14)13-8-6-7(16-2)4-5-9(8)18-12/h4-6H,1-3H3,(H,13,14)/t12-/m1/s1 |
| InChIKey |
OPJFQBLOJRZYFX-GFCCVEGCSA-N |
| Molecular Weight |
251.238 g/mol |
| SMILES |
[C@]1(C(NC=2C(O1)=CC=C(OC)C2)=O)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81417 |
