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Succinic acid, dodec-9-yn-1-yl undecyl ester

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

Succinic acid, dodec-9-yn-1-yl undecyl ester
SpectraBase Compound ID 8TJFjBHeidn
InChI InChI=1S/C27H48O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-22-26(28)30-24-20-18-16-14-12-10-8-6-4-2/h3-4,6,8-25H2,1-2H3
InChIKey BBPOAKVZWWSVNP-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HKz9aHC2yoE
Name Succinic acid, dodec-9-yn-1-yl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-22-26(28)30-24-20-18-16-14-12-10-8-6-4-2/h3-4,6,8-25H2,1-2H3
InChIKey BBPOAKVZWWSVNP-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES C(OC(CCC(OCCCCCCCCC#CCC)=O)=O)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820987