SpectraBase Compound ID | qYY6x4BVQh |
---|---|
InChI | InChI=1S/C19H16O2/c20-19(21-14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2 |
InChIKey | CPFKZKRQYNQFJB-UHFFFAOYSA-N |
Mol Weight | 276.33 g/mol |
Molecular Formula | C19H16O2 |
Exact Mass | 276.11503 g/mol |
SpectraBase Spectrum ID | ERAucAQhe37 |
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Name | 2-Phenethyl 1-naphthoate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 276.115029753 u |
Formula | C19H16O2 |
InChI | InChI=1S/C19H16O2/c20-19(21-14-13-15-7-2-1-3-8-15)18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2 |
InChIKey | CPFKZKRQYNQFJB-UHFFFAOYSA-N |
SMILES | C1=2C(C(OCCC=3C=CC=CC3)=O)=CC=CC1=CC=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816287 |