SpectraBase Spectrum ID |
L3NScXMYv1R |
Name |
Trans-9,10-epoxypentacosane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
366.386166229 u |
Formula |
C25H50O |
InChI |
InChI=1S/C25H50O/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-24(26-25)22-20-18-10-8-6-4-2/h24-25H,3-23H2,1-2H3 |
InChIKey |
QXRZBSXWGDKVCV-UHFFFAOYSA-N |
Molecular Weight |
366.674 g/mol |
SMILES |
C(CCCC1C(CCCCCCCC)O1)CCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896245 |