SpectraBase Spectrum ID |
64mCblziCdr |
Name |
2-(9-Benzyloxynonyl)oxirane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.208930140 u |
Formula |
C18H28O2 |
InChI |
InChI=1S/C18H28O2/c1(2-4-9-13-18-16-20-18)3-5-10-14-19-15-17-11-7-6-8-12-17/h6-8,11-12,18H,1-5,9-10,13-16H2 |
InChIKey |
FGNHMTCKQGZURY-UHFFFAOYSA-N |
Molecular Weight |
276.420 g/mol |
SMILES |
C1(OC1)CCCCCCCCCOCC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878369 |