SpectraBase Spectrum ID |
GPWjoGnRHT3 |
Name |
4-oxa-1-Azabicyclo[3.2.0]heptan-7-one, 2-(acetyloxy)-3-[2-(acetyloxy)ethylidene]-, [2S-(2.alpha.,3Z,5.alpha.)]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.074287137 u |
Formula |
C11H13NO6 |
InChI |
InChI=1S/C11H13NO6/c1-6(13)16-4-3-8-11(17-7(2)14)12-9(15)5-10(12)18-8/h3,10-11H,4-5H2,1-2H3/b8-3-/t10-,11+/m0/s1 |
InChIKey |
WCFFARVOOJNVGI-PYQLIGGBSA-N |
Molecular Weight |
255.226 g/mol |
SMILES |
[C@]1(N2[C@@](O\C1=C\COC(=O)C)(CC2=O)[H])(OC(=O)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903447 |