SpectraBase Compound ID | IlCFzrqVhGB |
---|---|
InChI | InChI=1S/C15H12O5/c1-9(17)19-14-7-11(8-16)15(20-10(2)18)13-6-4-3-5-12(13)14/h3-8H,1-2H3 |
InChIKey | QUDNXFRLSRNPSG-UHFFFAOYSA-N |
Mol Weight | 272.26 g/mol |
Molecular Formula | C15H12O5 |
Exact Mass | 272.068473 g/mol |
SpectraBase Spectrum ID | INl2kG9vSmt |
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Name | 1,4-Diacetoxy-2-naphthaldehyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 272.068473481 u |
Formula | C15H12O5 |
InChI | InChI=1S/C15H12O5/c1-9(17)19-14-7-11(8-16)15(20-10(2)18)13-6-4-3-5-12(13)14/h3-8H,1-2H3 |
InChIKey | QUDNXFRLSRNPSG-UHFFFAOYSA-N |
SMILES | C=1(C(=CC(=C2C1C=CC=C2)OC(=O)C)C=O)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891563 |