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Strobilurin A

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Strobilurin A
SpectraBase Compound ID 22gZ85UPR5r
InChI InChI=1S/C16H18O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-12H,1-3H3/b11-7+,13-8+,15-12+
InChIKey JSCQSBGXKRTPHZ-MGYGFCQBSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9D1VjHAtR09
Name Strobilurin A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.125594437 u
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-12H,1-3H3/b11-7+,13-8+,15-12+
InChIKey JSCQSBGXKRTPHZ-MGYGFCQBSA-N
Molecular Weight 258.317 g/mol
SMILES C(\C(\C(=C\C=C\C=1C=CC=CC1)C)=C\OC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909875