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Succinic acid, 3,7-dimethyloct-6-en-1-yl hexadecyl ester
SpectraBase Compound ID BxFsiFyIq4f
InChI InChI=1S/C30H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-33-29(31)22-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,28H,5-19,21-26H2,1-4H3
InChIKey IIFRFNXLJOVISE-UHFFFAOYSA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Gmu643fYKV
Name Succinic acid, 3,7-dimethyloct-6-en-1-yl hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-33-29(31)22-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,28H,5-19,21-26H2,1-4H3
InChIKey IIFRFNXLJOVISE-UHFFFAOYSA-N
Molecular Weight 480.774 g/mol
SMILES CC(C)=CCCC(C)CCOC(CCC(OCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861923