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Diethyl (2.alpha.,3a.beta.,4.alpha.,7.alpha.,7a.beta.)-3a,4,7,7a-tetrahydro-2-phenyl-4,7-etheno-1,3-dioxolo[4,5-d]pyridazine-5,6-dicarboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Diethyl (2.alpha.,3a.beta.,4.alpha.,7.alpha.,7a.beta.)-3a,4,7,7a-tetrahydro-2-phenyl-4,7-etheno-1,3-dioxolo[4,5-d]pyridazine-5,6-dicarboxylate
SpectraBase Compound ID LFqqm0vMtT8
InChI InChI=1S/C19H22N2O6/c1-3-24-18(22)20-13-10-11-14(21(20)19(23)25-4-2)16-15(13)26-17(27-16)12-8-6-5-7-9-12/h5-11,13-17H,3-4H2,1-2H3/t13-,14+,15+,16-,17+
InChIKey IRVGPTWGPRPJHA-JGAFCMAOSA-N
Mol Weight 374.39 g/mol
Molecular Formula C19H22N2O6
Exact Mass 374.147786 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID TjWLvwaiYn
Name Diethyl (2.alpha.,3A.beta.,4.alpha.,7.alpha.,7A.beta.)-3A,4,7,7A-tetrahydro-2-phenyl-4,7-etheno-1,3-dioxolo[4,5-D]pyridazine-5,6-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.147786430 u
Formula C19H22N2O6
InChI InChI=1S/C19H22N2O6/c1-3-24-18(22)20-13-10-11-14(21(20)19(23)25-4-2)16-15(13)26-17(27-16)12-8-6-5-7-9-12/h5-11,13-17H,3-4H2,1-2H3/t13-,14+,15+,16-,17+
InChIKey IRVGPTWGPRPJHA-JGAFCMAOSA-N
Molecular Weight 374.393 g/mol
SMILES [C@]12(N(N([C@](C=C2)([C@]2([C@@]1(O[C@](O2)(C=1C=CC=CC1)[H])[H])[H])[H])C(=O)OCC)C(=O)OCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913765