SpectraBase Compound ID | AnvDwWK6slM |
---|---|
InChI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)14-12-16-14/h13-15H,2-12H2,1H3 |
InChIKey | DTJNQTGZYVCTIX-UHFFFAOYSA-N |
Mol Weight | 228.38 g/mol |
Molecular Formula | C14H28O2 |
Exact Mass | 228.20893 g/mol |
SpectraBase Spectrum ID | EnZvSb6EeP5 |
---|---|
Name | 1-(2-Oxiranyl)-1-dodecanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 228.208930140 u |
Formula | C14H28O2 |
InChI | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)14-12-16-14/h13-15H,2-12H2,1H3 |
InChIKey | DTJNQTGZYVCTIX-UHFFFAOYSA-N |
Molecular Weight | 228.376 g/mol |
SMILES | C1(OC1)C(O)CCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860793 |