| SpectraBase Spectrum ID |
8tyUKXfZmP7 |
| Name |
Diethyl (7R,8as)-7-methyldihydro-4H-pyrrolo[2,1-D][1,3,5]dioxazine-6,6(7H)-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.136887394 u |
| Formula |
C13H21NO6 |
| InChI |
InChI=1S/C13H21NO6/c1-4-18-11(15)13(12(16)19-5-2)9(3)6-10-14(13)7-17-8-20-10/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1 |
| InChIKey |
RJGQIVPLQUZIOU-ZJUUUORDSA-N |
| SMILES |
C1(N2[C@](OCOC2)([H])C[C@]1(C)[H])(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953769 |
![Diethyl (7R,8as)-7-methyldihydro-4H-pyrrolo[2,1-D][1,3,5]dioxazine-6,6(7H)-dicarboxylate](/api/spectrum/8tyUKXfZmP7/structure.png?h=300&w=458 "Diethyl (7R,8as)-7-methyldihydro-4H-pyrrolo[2,1-D][1,3,5]dioxazine-6,6(7H)-dicarboxylate")
