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mal ac

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

mal ac
SpectraBase Compound ID AoM6e8gXuuS
InChI InChI=1S/C16H23NO4/c1-11(2)10-21-16-14(19-4)8-13(9-15(16)20-5)6-7-17-12(3)18/h8-9H,1,6-7,10H2,2-5H3,(H,17,18)
InChIKey ZXCPNBISJWICLW-UHFFFAOYSA-N
Mol Weight 293.36 g/mol
Molecular Formula C16H23NO4
Exact Mass 293.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C2tEI7Fbc6X
Name mal ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.162708221 u
Formula C16H23NO4
InChI InChI=1S/C16H23NO4/c1-11(2)10-21-16-14(19-4)8-13(9-15(16)20-5)6-7-17-12(3)18/h8-9H,1,6-7,10H2,2-5H3,(H,17,18)
InChIKey ZXCPNBISJWICLW-UHFFFAOYSA-N
Molecular Weight 293.363 g/mol
SMILES C1(=C(C=C(C=C1OC)CCNC(=O)C)OC)OCC(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967057