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Adipic acid, ethyl pent-4-enyl ester
SpectraBase Compound ID LSpvkiC2Ypi
InChI InChI=1S/C13H22O4/c1-3-5-8-11-17-13(15)10-7-6-9-12(14)16-4-2/h3H,1,4-11H2,2H3
InChIKey YXGWLPLHOXJMFK-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39xwa6Xj9MB
Name Adipic acid, ethyl pent-4-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.151809184 u
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-3-5-8-11-17-13(15)10-7-6-9-12(14)16-4-2/h3H,1,4-11H2,2H3
InChIKey YXGWLPLHOXJMFK-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C(CCC(OCCCC=C)=O)CC(OCC)=O