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2-Oxa-8-azabicyclo[3.3.0]oct-7-en-3-one-6-propanoic acid, 1,5-dimethyl-7-(4,4-dimethylpyrrolidin-2-on-5-ylidene)methyl, methyl ester

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

2-Oxa-8-azabicyclo[3.3.0]oct-7-en-3-one-6-propanoic acid, 1,5-dimethyl-7-(4,4-dimethylpyrrolidin-2-on-5-ylidene)methyl, methyl ester
SpectraBase Compound ID 3r4ot3xby1A
InChI InChI=1S/C19H26N2O5/c1-17(2)9-14(22)20-13(17)8-12-11(6-7-15(23)25-5)18(3)10-16(24)26-19(18,4)21-12/h11H,6-10H2,1-5H3
InChIKey XVKWPGNUADWDRR-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C19H26N2O5
Exact Mass 362.184172 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CueP0yl1bxb
Name 2-oxa-8-Azabicyclo[3.3.0]oct-7-en-3-one-6-propanoic acid, 1,5-dimethyl-7-(4,4-dimethylpyrrolidin-2-on-5-ylidene)methyl, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.184171940 u
Formula C19H26N2O5
InChI InChI=1S/C19H26N2O5/c1-17(2)9-14(22)20-13(17)8-12-11(6-7-15(23)25-5)18(3)10-16(24)26-19(18,4)21-12/h11H,6-10H2,1-5H3
InChIKey XVKWPGNUADWDRR-UHFFFAOYSA-N
Molecular Weight 362.426 g/mol
SMILES C12(C)C(C)(OC(=O)C2)N=C(C1CCC(=O)OC)CC=1C(CC(N1)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895999