| SpectraBase Spectrum ID |
CER0K0WSRQw |
| Name |
Acetic acid, 5-acetoxy-4-nitrotetrahydropyran-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.069201756 u |
| Formula |
C9H13NO7 |
| InChI |
InChI=1S/C9H13NO7/c1-5(11)16-7-3-15-4-8(17-6(2)12)9(7)10(13)14/h7-9H,3-4H2,1-2H3 |
| InChIKey |
WLIRGTJQFXPLQT-UHFFFAOYSA-N |
| Molecular Weight |
247.203 g/mol |
| SMILES |
C1OCC(C(C1OC(=O)C)N(=O)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960352 |
