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Spiro[2.5]oct-7-ene-4,7-dicarboxylic acid, 4-(1,3-butadienyl)-, dimethyl ester, (E)-
SpectraBase Compound ID Iu8efM2D8YD
InChI InChI=1S/C16H20O4/c1-4-5-7-16(14(18)20-3)8-6-12(13(17)19-2)11-15(16)9-10-15/h4-5,7,11H,1,6,8-10H2,2-3H3/b7-5+
InChIKey QWCZKGCPPSQHPA-FNORWQNLSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CNNzTjAv2O4
Name Spiro[2.5]oct-7-ene-4,7-dicarboxylic acid, 4-(1,3-butadienyl)-, dimethyl ester, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-4-5-7-16(14(18)20-3)8-6-12(13(17)19-2)11-15(16)9-10-15/h4-5,7,11H,1,6,8-10H2,2-3H3/b7-5+
InChIKey QWCZKGCPPSQHPA-FNORWQNLSA-N
SMILES C12(C(C(=O)OC)(CCC(=C2)C(=O)OC)\C=C\C=C)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880217