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Succinic acid, hept-2-yl dodec-9-yn-1-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, hept-2-yl dodec-9-yn-1-yl ester
SpectraBase Compound ID Kxrvul938Wa
InChI InChI=1S/C23H40O4/c1-4-6-8-9-10-11-12-13-14-16-20-26-22(24)18-19-23(25)27-21(3)17-15-7-5-2/h21H,4-5,7,9-20H2,1-3H3
InChIKey CDDAOKDRPXJVMC-UHFFFAOYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LuOiyJcTj1j
Name Succinic acid, hept-2-yl dodec-9-yn-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-4-6-8-9-10-11-12-13-14-16-20-26-22(24)18-19-23(25)27-21(3)17-15-7-5-2/h21H,4-5,7,9-20H2,1-3H3
InChIKey CDDAOKDRPXJVMC-UHFFFAOYSA-N
Molecular Weight 380.569 g/mol
SMILES C(CC(OC(C)CCCCC)=O)C(OCCCCCCCCC#CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920052