SpectraBase Spectrum ID |
GJ7jocyUHNs |
Name |
Methyl 1-phenoxy-3,4-dihydronaphthalene-2-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.109944372 u |
Formula |
C18H16O3 |
InChI |
InChI=1S/C18H16O3/c1-20-18(19)16-12-11-13-7-5-6-10-15(13)17(16)21-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3 |
InChIKey |
HERYJOGMHAYVBQ-UHFFFAOYSA-N |
SMILES |
C1=CC=C2C(=C1)C(=C(C(OC)=O)CC2)OC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83257 |