SpectraBase Compound ID | 9j5jUOXXmFb |
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InChI | InChI=1S/C12H10O3/c1-8(13)15-12-7-10(14)6-9-4-2-3-5-11(9)12/h2-7,14H,1H3 |
InChIKey | MELGHTFKAAXDLJ-UHFFFAOYSA-N |
Mol Weight | 202.21 g/mol |
Molecular Formula | C12H10O3 |
Exact Mass | 202.062994 g/mol |
SpectraBase Spectrum ID | EwlJZ3ejptZ |
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Name | (3-Hydroxy-1-naphthyl) acetate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 202.062994179 u |
Formula | C12H10O3 |
InChI | InChI=1S/C12H10O3/c1-8(13)15-12-7-10(14)6-9-4-2-3-5-11(9)12/h2-7,14H,1H3 |
InChIKey | MELGHTFKAAXDLJ-UHFFFAOYSA-N |
Molecular Weight | 202.209 g/mol |
SMILES | C=1(C=C(O)C=C2C1C=CC=C2)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909586 |