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Azelaaldehydic acid, butyl ester
SpectraBase Compound ID FgjUFXVHoo4
InChI InChI=1S/C13H24O3/c1-2-3-12-16-13(15)10-8-6-4-5-7-9-11-14/h11H,2-10,12H2,1H3
InChIKey RKCDWVWCNXOCMW-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uQbU9FoppQ
Name Azelaaldehydic acid, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.172544630 u
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-2-3-12-16-13(15)10-8-6-4-5-7-9-11-14/h11H,2-10,12H2,1H3
InChIKey RKCDWVWCNXOCMW-UHFFFAOYSA-N
Molecular Weight 228.332 g/mol
SMILES C(C(OCCCC)=O)CCCCCCC=O