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Succinic acid, 3,7-dimethyloct-6-en-1-yl propyl ester

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Succinic acid, 3,7-dimethyloct-6-en-1-yl propyl ester
SpectraBase Compound ID 63EXNQxROWY
InChI InChI=1S/C17H30O4/c1-5-12-20-16(18)9-10-17(19)21-13-11-15(4)8-6-7-14(2)3/h7,15H,5-6,8-13H2,1-4H3
InChIKey BLAINOUTIYVOOO-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4ElkpwPbNWY
Name Succinic acid, 3,7-dimethyloct-6-en-1-yl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-5-12-20-16(18)9-10-17(19)21-13-11-15(4)8-6-7-14(2)3/h7,15H,5-6,8-13H2,1-4H3
InChIKey BLAINOUTIYVOOO-UHFFFAOYSA-N
SMILES CC(C)=CCCC(C)CCOC(CCC(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.989163