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 |