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8-Oxa-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylic acid, 1,3,6-trimethyl-, dimethyl ester, (6-exo,7-endo)-
SpectraBase Compound ID H5nJcJda4WB
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
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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