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Succinic acid, 2-methylpent-3-yl cis-hex-2-en-1-yl ester

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

Succinic acid, 2-methylpent-3-yl cis-hex-2-en-1-yl ester
SpectraBase Compound ID 3ubOjMW6kz4
InChI InChI=1S/C16H28O4/c1-5-7-8-9-12-19-15(17)10-11-16(18)20-14(6-2)13(3)4/h8-9,13-14H,5-7,10-12H2,1-4H3/b9-8-
InChIKey INVDPNNBCFBNJK-HJWRWDBZSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BFj5ANbkWOh
Name Succinic acid, 2-methylpent-3-yl cis-hex-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-5-7-8-9-12-19-15(17)10-11-16(18)20-14(6-2)13(3)4/h8-9,13-14H,5-7,10-12H2,1-4H3/b9-8-
InChIKey INVDPNNBCFBNJK-HJWRWDBZSA-N
SMILES C(CC(OC(CC)C(C)C)=O)C(OC\C=C/CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932273