SpectraBase Spectrum ID |
CjtCFE3Z5SF |
Name |
8-oxa-2-Azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylic acid, 1,3,6-trimethyl-, dimethyl ester, (6-exo,7-endo)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.126322711 u |
Formula |
C13H19NO5 |
InChI |
InChI=1S/C13H19NO5/c1-6-9(12(16)18-5)13(3)14-7(2)8(10(6)19-13)11(15)17-4/h6,9-10,14H,1-5H3 |
InChIKey |
ACEYXOSZLWXUKQ-UHFFFAOYSA-N |
Molecular Weight |
269.297 g/mol |
SMILES |
C12(C(C(C)C(O2)C(=C(N1)C)C(=O)OC)C(=O)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97215 |