SpectraBase Compound ID | 75NZN8A6IiF |
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InChI | InChI=1S/C11H10O4/c1-6-5-9(12)15-11-7(6)3-4-8(14-2)10(11)13/h3-5,13H,1-2H3 |
InChIKey | HHSJFOILNWMNFO-UHFFFAOYSA-N |
Mol Weight | 206.2 g/mol |
Molecular Formula | C11H10O4 |
Exact Mass | 206.057909 g/mol |
SpectraBase Spectrum ID | 3aa3W9QCfJ5 |
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Name | Coumarin-8-ol, 7-methoxy-4-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 206.057908798 u |
Formula | C11H10O4 |
InChI | InChI=1S/C11H10O4/c1-6-5-9(12)15-11-7(6)3-4-8(14-2)10(11)13/h3-5,13H,1-2H3 |
InChIKey | HHSJFOILNWMNFO-UHFFFAOYSA-N |
Molecular Weight | 206.197 g/mol |
SMILES | C1=C(C(=C2C(=C1)C(=CC(O2)=O)C)O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893817 |