SpectraBase Spectrum ID |
GUW5wB7zRYY |
Name |
3-(4-Methoxyphenyl)-1-phenylazetidin-3-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.125928789 u |
Formula |
C16H17NO2 |
InChI |
InChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)16(18)11-17(12-16)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3 |
InChIKey |
LMINWAQUFGOMIC-UHFFFAOYSA-N |
Molecular Weight |
255.317 g/mol |
SMILES |
C1N(CC1(C=1C=CC(=CC1)OC)O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911949 |