SpectraBase Spectrum ID |
7dw5Bjmxyz |
Name |
Phenyl(2-phenyl-1,3-dioxolan-2-yl)methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.109944372 u |
Formula |
C16H16O3 |
InChI |
InChI=1S/C16H16O3/c17-15(13-7-3-1-4-8-13)16(18-11-12-19-16)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2 |
InChIKey |
HAEGULPLPHZWMP-UHFFFAOYSA-N |
Molecular Weight |
256.301 g/mol |
SMILES |
C1(OCCO1)(C(O)C1=CC=CC=C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865334 |