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Glutaric acid, dodec-2-en-1-yl dec-4-enyl ester

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Glutaric acid, dodec-2-en-1-yl dec-4-enyl ester
SpectraBase Compound ID 9eEmVfZka8y
InChI InChI=1S/C27H48O4/c1-3-5-7-9-11-13-14-16-18-20-25-31-27(29)23-21-22-26(28)30-24-19-17-15-12-10-8-6-4-2/h12,15,18,20H,3-11,13-14,16-17,19,21-25H2,1-2H3/b15-12+,20-18+
InChIKey REGSEUZAYIZAET-ULGZWHSMSA-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 904MDWYsL1s
Name Glutaric acid, dodec-2-en-1-yl dec-4-enyl 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/c1-3-5-7-9-11-13-14-16-18-20-25-31-27(29)23-21-22-26(28)30-24-19-17-15-12-10-8-6-4-2/h12,15,18,20H,3-11,13-14,16-17,19,21-25H2,1-2H3/b15-12+,20-18+
InChIKey REGSEUZAYIZAET-ULGZWHSMSA-N
Molecular Weight 436.677 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OCCC\C=C\CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821767