SpectraBase Spectrum ID |
4zOn53v6pfY |
Name |
4-Methylene-6-propyl-2-benzyltetrahydropyran |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.167065327 u |
Formula |
C16H22O |
InChI |
InChI=1S/C16H22O/c1-3-7-15-10-13(2)11-16(17-15)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,2-3,7,10-12H2,1H3 |
InChIKey |
HMZFNMLDFYWCHJ-UHFFFAOYSA-N |
Molecular Weight |
230.351 g/mol |
SMILES |
C1(OC(CC(C1)=C)CCC)CC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841944 |