SpectraBase Spectrum ID |
LUx3aucCxUB |
Name |
1,4-Ethanonaphthalene, 1,4-dihydro-2-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
186.104465070 u |
Formula |
C13H14O |
InChI |
InChI=1S/C13H14O/c1-14-13-8-9-6-7-12(13)11-5-3-2-4-10(9)11/h2-5,8-9,12H,6-7H2,1H3 |
InChIKey |
MISLWBZPSWGZQW-UHFFFAOYSA-N |
Molecular Weight |
186.254 g/mol |
SMILES |
C=1(C2C=3C=CC=CC3C(C1)CC2)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936743 |